ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr27-2024 05:36:24 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.31 0.04 0.39 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Apr27-2024 05:36:24 Nodes: 1 Procs: 1 Apr27-2024 05:36:24 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr27-2024 05:36:24 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.56 0.02 0.61 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 2.000 0.000 0.000 0.000 0.000 -139.491 -10.820 3.478 40.665 286.501 -95.429 -4.086 1.767 16.978 215.955 10.038 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -139.4907 -95.4288 -10.8205 -4.0856 1.7668 3.4780 10.0377 16.9776 40.6653 215.9554 286.5008 1 Si -0.0000 4.0000 8.0000 0.0000 0.0000 Apr27-2024 05:36:24 Nodes: 1 Procs: 1 Apr27-2024 05:36:24 Nodes: 1 Procs: 1 0 Apr27-2024 05:36:24 Nodes: 1 Procs: 1 Apr27-2024 05:36:25 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr27-2024 05:36:25 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.68 0.02 0.74 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo 0.0000 3.0000 6.0000 5.0000 0.0000 Apr27-2024 05:36:24 Nodes: 1 Procs: 1 Apr27-2024 05:36:24 Nodes: 1 Procs: 1 0 Apr27-2024 05:36:24 Nodes: 1 Procs: 1 Apr27-2024 05:36:25 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr27-2024 05:36:25 Nodes: 1 Procs: 1 Apr27-2024 05:36:26 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr27-2024 05:36:27 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.40 0.04 0.47 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Apr27-2024 05:36:24 Nodes: 1 Procs: 1 Apr27-2024 05:36:24 Nodes: 1 Procs: 1 0 Apr27-2024 05:36:24 Nodes: 1 Procs: 1 Apr27-2024 05:36:25 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr27-2024 05:36:25 Nodes: 1 Procs: 1 Apr27-2024 05:36:26 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr27-2024 05:36:27 Nodes: 1 Procs: 1 Apr27-2024 05:36:27 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr27-2024 05:36:27 Hydrogen (TZP) kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.19 0.03 1.26 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Apr27-2024 05:36:24 Nodes: 1 Procs: 1 Apr27-2024 05:36:24 Nodes: 1 Procs: 1 0 Apr27-2024 05:36:24 Nodes: 1 Procs: 1 Apr27-2024 05:36:25 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr27-2024 05:36:25 Nodes: 1 Procs: 1 Apr27-2024 05:36:26 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr27-2024 05:36:27 Nodes: 1 Procs: 1 Apr27-2024 05:36:27 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr27-2024 05:36:27 Nodes: 1 Procs: 1 Apr27-2024 05:36:28 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr27-2024 05:36:30 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2050.8250999999973 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-1.796665 2.469915 -1.898189 Rho 0.4361415E+07 3,-3 3 3 -3 1.685498 2.546479 1.882831 Rho 0.4361415E+07 3,-3 4 3 -3 1.694078 2.561371 -1.913959 Rho 0.4361415E+07 3,-3 5 3 -3 -1.776135 2.452747 1.843314 Rho 0.4361415E+07 3,-3 6 3 -3 -0.112322 0.085701 3.612934 Rho 0.4361415E+07 3,-3 7 3 -3 3.589197 -0.138165 -0.012218 Rho 0.4361415E+07 3,-3 8 3 -3 2.602053 -3.687341 -2.822990 Rho 0.3192726E+03 3,-3 9 3 -3 2.860243 3.779456 -2.463600 Rho 0.3191523E+03 3,-3 10 3 -3 -2.816511 3.755449 2.455019 Rho 0.3191601E+03 3,-3 11 3 -3 1.177640 -1.055151 0.002865 Rho 0.3186889E+03 3,-3 12 3 -3 -1.557659 -0.848165 0.110751 Rho 0.3185749E+03 3,-3 13 3 -3 -0.105342 0.925484 -1.360640 Rho 0.3187052E+03 3,-3 14 3 -3 -0.064590 0.941948 1.370138 Rho 0.3186909E+03 3,-3 15 3 -3 -1.455501 -1.033685 3.317008 Rho 0.3192144E+03 3,-3 16 3 -3 1.286883 -1.138635 -2.907733 Rho 0.3189595E+03 3,-3 17 3 -3 -2.928343 1.125386 1.467950 Rho 0.3191550E+03 3,-3 18 3 -3 2.917313 1.166977 -1.281297 Rho 0.3188554E+03 3,-3 19 3 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3,-3 36 3 -3 2.251215 -3.416328 0.001854 Rho 0.3189496E+03 3,-3 37 3 -3 0.071905 3.479425 -2.133361 Rho 0.3189633E+03 3,-3 38 3 -3 2.580228 -3.643390 2.811689 Rho 0.3191506E+03 3,-3 39 3 -3 5.315184 0.261105 0.010210 Rho 0.3191572E+03 3,-3 40 3 -3 -2.664368 3.883667 -2.540971 Rho 0.3191496E+03 3,-3 41 3 -3 2.805127 3.794760 2.459221 Rho 0.3191561E+03 3,-3 42 3 -3 1.729335 -2.617885 -1.713685 Rho 0.1240650E+06 3,-3 43 3 -3 -0.089137 0.039982 -3.601015 Rho 0.1240649E+06 3,-3 44 3 -3 -0.119866 -0.027162 0.006359 Rho 0.1943372E+04 3,-3 45 3 -3 -2.168457 -0.220844 0.595093 Rho 0.4384430E+00 3,-3 46 3 +1 -2.591645 0.658703 -0.205236 Rho 0.5519264E-02 |GRAD(Rho)| 0.2867028E-14 GRAD(Rho)x -0.2437070E-14 GRAD(Rho)y 0.1398892E-14 GRAD(Rho)z -0.5688944E-15 Laplacian 0.2090805E-01 (-1/4)Del**2(Rho)) -0.5227013E-02 Diamond 0.4057309E-03 Metallicity 0.5681132E+00 Ellipticity -0.1665585E+01 Gb(Abramov) 0.3979598E-02 Vb(Abramov) -0.2732183E-02 Hb(Abramov) 0.1247415E-02 Ex_ueg -0.7203772E-03 Ec_ueg 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Hb(Abramov) -0.3357392E-01 Ex_ueg -0.3731660E-01 Ec_ueg -0.5724771E-02 Delta_ex -0.4172079E-01 Delta_ec 0.1149341E-01 Delta_et -0.1443847E+00 Pxc 0.6518444E+01 Qxc -0.3629973E+01 3,-1 49 3 -1 -2.505989 1.847647 -1.748090 Rho 0.2214602E+00 |GRAD(Rho)| 0.2255905E-13 GRAD(Rho)x -0.3118328E-14 GRAD(Rho)y 0.2076827E-13 GRAD(Rho)z -0.8238066E-14 Laplacian 0.8677076E+00 (-1/4)Del**2(Rho)) -0.2169269E+00 Diamond 0.2753345E+01 Metallicity 0.6437726E+01 Ellipticity 0.7263100E-02 Gb(Abramov) 0.3773706E+00 Vb(Abramov) -0.5378143E+00 Hb(Abramov) -0.1604437E+00 Ex_ueg -0.9895686E-01 Ec_ueg -0.1316693E-01 Delta_ex -0.1024755E+00 Delta_ec 0.1927803E-01 Delta_et -0.2647083E+00 Pxc 0.7515560E+01 Qxc -0.5315661E+01 3,-1 50 3 +1 -2.735545 1.524561 -0.070371 Rho 0.6856562E-02 |GRAD(Rho)| 0.1378010E-16 GRAD(Rho)x 0.6376464E-17 GRAD(Rho)y 0.1212443E-16 GRAD(Rho)z 0.1493319E-17 Laplacian 0.2979015E-01 (-1/4)Del**2(Rho)) -0.7447538E-02 Diamond 0.8729230E-03 Metallicity 0.5724239E+00 Ellipticity -0.1810938E+01 Gb(Abramov) 0.5675550E-02 Vb(Abramov) -0.3903562E-02 Hb(Abramov) 0.1771988E-02 Ex_ueg -0.9620410E-03 Ec_ueg -0.2276628E-03 Delta_ex -0.1460887E-02 Delta_ec 0.7317156E-03 Delta_et -0.4447151E-02 Pxc 0.4225728E+01 Qxc -0.1996523E+01 3,+1 51 3 -1 -2.389466 1.733750 1.639859 Rho 0.2084801E+00 |GRAD(Rho)| 0.9315706E-15 GRAD(Rho)x -0.1728760E-15 GRAD(Rho)y 0.8858474E-15 GRAD(Rho)z 0.2306776E-15 Laplacian 0.8122596E+00 (-1/4)Del**2(Rho)) -0.2030649E+00 Diamond 0.2402994E+01 Metallicity 0.6218600E+01 Ellipticity 0.2923484E-01 Gb(Abramov) 0.3458398E+00 Vb(Abramov) -0.4886148E+00 Hb(Abramov) -0.1427749E+00 Ex_ueg -0.9130009E-01 Ec_ueg -0.1228751E-01 Delta_ex -0.9448021E-01 Delta_ec 0.1843011E-01 Delta_et -0.2524866E+00 Pxc 0.7430316E+01 Qxc -0.5126406E+01 3,-1 52 3 -1 -2.956924 1.257278 -0.078936 Rho 0.7145048E-02 |GRAD(Rho)| 0.9376574E-18 GRAD(Rho)x 0.1151965E-18 GRAD(Rho)y -0.5725943E-18 GRAD(Rho)z -0.7335305E-18 Laplacian 0.2754562E-01 (-1/4)Del**2(Rho)) -0.6886405E-02 Diamond 0.1261047E-02 Metallicity 0.6630850E+00 Ellipticity 0.3509515E+00 Gb(Abramov) 0.5351982E-02 Vb(Abramov) -0.3817559E-02 Hb(Abramov) 0.1534423E-02 Ex_ueg -0.1016386E-02 Ec_ueg -0.2403596E-03 Delta_ex -0.1598244E-02 Delta_ec 0.1096509E-02 Delta_et -0.6538858E-02 Pxc 0.4228604E+01 Qxc -0.1457575E+01 3,-1 53 3 +1 1.968800 0.170970 -2.195259 Rho 0.5409325E-02 |GRAD(Rho)| 0.1125018E-16 GRAD(Rho)x 0.8098695E-17 GRAD(Rho)y 0.5879163E-17 GRAD(Rho)z 0.5139368E-17 Laplacian 0.2230138E-01 (-1/4)Del**2(Rho)) -0.5575345E-02 Diamond 0.5643391E-03 Metallicity 0.5150545E+00 Ellipticity -0.2842236E+01 Gb(Abramov) 0.4195498E-02 Vb(Abramov) -0.2815650E-02 Hb(Abramov) 0.1379847E-02 Ex_ueg -0.7013086E-03 Ec_ueg -0.1645700E-03 Delta_ex -0.1114350E-02 Delta_ec 0.6816949E-03 Delta_et -0.3798862E-02 Pxc 0.4261460E+01 Qxc -0.1634676E+01 3,+1 54 3 -1 -0.806784 2.986859 -2.015749 Rho 0.8876119E-01 |GRAD(Rho)| 0.5113953E-16 GRAD(Rho)x 0.1540922E-16 GRAD(Rho)y 0.3693233E-16 GRAD(Rho)z -0.3184039E-16 Laplacian 0.3564095E+00 (-1/4)Del**2(Rho)) -0.8910239E-01 Diamond 0.3797124E+00 Metallicity 0.3414829E+01 Ellipticity 0.1983431E-01 Gb(Abramov) 0.1101132E+00 Vb(Abramov) -0.1311239E+00 Hb(Abramov) -0.2101078E-01 Ex_ueg -0.2924259E-01 Ec_ueg -0.4649433E-02 Delta_ex -0.3370703E-01 Delta_ec 0.1005100E-01 Delta_et -0.1216835E+00 Pxc 0.6289497E+01 Qxc -0.3353601E+01 3,-1 55 3 +1 -0.018051 2.958678 -0.270516 Rho 0.5698947E-02 |GRAD(Rho)| 0.5551769E-17 GRAD(Rho)x -0.4927625E-17 GRAD(Rho)y -0.1029021E-17 GRAD(Rho)z -0.2341319E-17 Laplacian 0.2353034E-01 (-1/4)Del**2(Rho)) -0.5882586E-02 Diamond 0.6052405E-03 Metallicity 0.5324873E+00 Ellipticity -0.2444001E+01 Gb(Abramov) 0.4443791E-02 Vb(Abramov) -0.3004996E-02 Hb(Abramov) 0.1438795E-02 Ex_ueg -0.7518154E-03 Ec_ueg -0.1771143E-03 Delta_ex -0.1161849E-02 Delta_ec 0.6726340E-03 Delta_et -0.3826323E-02 Pxc 0.4244805E+01 Qxc -0.1727312E+01 3,+1 56 3 -1 -0.018975 2.951847 0.005182 Rho 0.5759885E-02 |GRAD(Rho)| 0.1217967E-16 GRAD(Rho)x 0.1214146E-16 GRAD(Rho)y -0.9478704E-18 GRAD(Rho)z 0.1755178E-18 Laplacian 0.2319003E-01 (-1/4)Del**2(Rho)) -0.5797507E-02 Diamond 0.7455184E-03 Metallicity 0.5499649E+00 Ellipticity 0.2922040E+01 Gb(Abramov) 0.4396409E-02 Vb(Abramov) -0.2995311E-02 Hb(Abramov) 0.1401098E-02 Ex_ueg -0.7625533E-03 Ec_ueg -0.1797589E-03 Delta_ex -0.1255503E-02 Delta_ec 0.8556922E-03 Delta_et -0.4798729E-02 Pxc 0.4242088E+01 Qxc -0.1467237E+01 3,-1 57 3 +1 -0.021083 2.954147 0.204850 Rho 0.5734036E-02 |GRAD(Rho)| 0.4082776E-14 GRAD(Rho)x 0.1499823E-15 GRAD(Rho)y 0.4247782E-15 GRAD(Rho)z 0.4057848E-14 Laplacian 0.2366546E-01 (-1/4)Del**2(Rho)) -0.5916364E-02 Diamond 0.6417785E-03 Metallicity 0.5348914E+00 Ellipticity -0.3060145E+01 Gb(Abramov) 0.4471678E-02 Vb(Abramov) -0.3026992E-02 Hb(Abramov) 0.1444686E-02 Ex_ueg -0.7579937E-03 Ec_ueg -0.1786368E-03 Delta_ex -0.1191647E-02 Delta_ec 0.7151826E-03 Delta_et -0.4058843E-02 Pxc 0.4243210E+01 Qxc -0.1666214E+01 3,+1 58 3 +1 -0.800514 1.630329 0.005333 Rho 0.9268727E-02 |GRAD(Rho)| 0.1534333E-13 GRAD(Rho)x 0.3686004E-14 GRAD(Rho)y -0.2064131E-14 GRAD(Rho)z 0.1475027E-13 Laplacian 0.3694147E-01 (-1/4)Del**2(Rho)) -0.9235368E-02 Diamond 0.1046914E-02 Metallicity 0.7628968E+00 Ellipticity -0.1404501E+01 Gb(Abramov) 0.7331184E-02 Vb(Abramov) -0.5427000E-02 Hb(Abramov) 0.1904184E-02 Ex_ueg -0.1437955E-02 Ec_ueg -0.3349992E-03 Delta_ex -0.1700478E-02 Delta_ec 0.4849034E-03 Delta_et -0.3406249E-02 Pxc 0.4292412E+01 Qxc -0.3506838E+01 3,+1 59 3 +1 0.018603 2.075162 2.877670 Rho 0.1244943E-01 |GRAD(Rho)| 0.3053530E-14 GRAD(Rho)x -0.2112456E-15 GRAD(Rho)y -0.1805498E-14 GRAD(Rho)z -0.2453486E-14 Laplacian 0.5764412E-01 (-1/4)Del**2(Rho)) -0.1441103E-01 Diamond 0.1894935E-02 Metallicity 0.7994176E+00 Ellipticity -0.1121879E+01 Gb(Abramov) 0.1152742E-01 Vb(Abramov) -0.8643820E-02 Hb(Abramov) 0.2883605E-02 Ex_ueg -0.2131003E-02 Ec_ueg -0.4803556E-03 Delta_ex -0.2714085E-02 Delta_ec 0.4857087E-03 Delta_et -0.3872543E-02 Pxc 0.4436304E+01 Qxc -0.5587887E+01 3,+1 60 3 +3 -0.542487 -1.475920 1.669158 Rho 0.2929826E-02 |GRAD(Rho)| 0.5291399E-17 GRAD(Rho)x -0.1019828E-17 GRAD(Rho)y 0.4065758E-17 GRAD(Rho)z 0.3229313E-17 Laplacian 0.1113108E-01 (-1/4)Del**2(Rho)) -0.2782770E-02 Diamond 0.5369566E-04 Metallicity 0.3713748E+00 Ellipticity -0.8103192E+00 Gb(Abramov) 0.2027422E-02 Vb(Abramov) -0.1272073E-02 Hb(Abramov) 0.7553481E-03 Ex_ueg -0.3096285E-03 Ec_ueg -0.5894241E-04 Delta_ex -0.3630954E-03 Delta_ec 0.1037434E-03 Delta_et -0.5818616E-03 Pxc 0.5253068E+01 Qxc -0.3499938E+01 3,+3 61 3 +1 -0.446480 -2.028936 2.537359 Rho 0.5803244E-02 |GRAD(Rho)| 0.3797629E-16 GRAD(Rho)x 0.3761642E-16 GRAD(Rho)y 0.5084739E-17 GRAD(Rho)z 0.1161706E-17 Laplacian 0.2427912E-01 (-1/4)Del**2(Rho)) -0.6069780E-02 Diamond 0.7185764E-03 Metallicity 0.5319020E+00 Ellipticity -0.3688563E+01 Gb(Abramov) 0.4584608E-02 Vb(Abramov) -0.3099436E-02 Hb(Abramov) 0.1485172E-02 Ex_ueg -0.7702166E-03 Ec_ueg -0.1816418E-03 Delta_ex -0.1263118E-02 Delta_ec 0.8009226E-03 Delta_et -0.4533965E-02 Pxc 0.4240305E+01 Qxc -0.1577079E+01 3,+1 62 3 +1 -0.305450 -1.977968 -2.544122 Rho 0.6435806E-02 |GRAD(Rho)| 0.7813048E-18 GRAD(Rho)x -0.3176506E-18 GRAD(Rho)y 0.6176227E-19 GRAD(Rho)z 0.7111404E-18 Laplacian 0.2843286E-01 (-1/4)Del**2(Rho)) -0.7108215E-02 Diamond 0.8177416E-03 Metallicity 0.5396732E+00 Ellipticity -0.1891263E+01 Gb(Abramov) 0.5378163E-02 Vb(Abramov) -0.3648110E-02 Hb(Abramov) 0.1730053E-02 Ex_ueg -0.8841427E-03 Ec_ueg -0.2092152E-03 Delta_ex -0.1410329E-02 Delta_ec 0.7609610E-03 Delta_et -0.4509606E-02 Pxc 0.4225996E+01 Qxc -0.1853352E+01 3,+1 63 3 +1 0.710792 -0.535714 1.538859 Rho 0.8984796E-02 |GRAD(Rho)| 0.1727542E-13 GRAD(Rho)x -0.7900418E-14 GRAD(Rho)y 0.1421570E-13 GRAD(Rho)z -0.5825569E-14 Laplacian 0.3668844E-01 (-1/4)Del**2(Rho)) -0.9172109E-02 Diamond 0.1026223E-02 Metallicity 0.7293417E+00 Ellipticity -0.1398322E+01 Gb(Abramov) 0.7229673E-02 Vb(Abramov) -0.5287237E-02 Hb(Abramov) 0.1942436E-02 Ex_ueg -0.1379524E-02 Ec_ueg -0.3222297E-03 Delta_ex -0.1687991E-02 Delta_ec 0.5041397E-03 Delta_et -0.3494431E-02 Pxc 0.4281184E+01 Qxc -0.3348262E+01 3,+1 64 3 +1 -1.175218 -0.571510 1.739187 Rho 0.6027891E-02 |GRAD(Rho)| 0.1930443E-16 GRAD(Rho)x 0.1208885E-16 GRAD(Rho)y 0.1404042E-16 GRAD(Rho)z 0.5421011E-17 Laplacian 0.2329446E-01 (-1/4)Del**2(Rho)) -0.5823615E-02 Diamond 0.5263821E-03 Metallicity 0.5906126E+00 Ellipticity -0.1774810E+01 Gb(Abramov) 0.4455660E-02 Vb(Abramov) -0.3087705E-02 Hb(Abramov) 0.1367955E-02 Ex_ueg -0.8102248E-03 Ec_ueg -0.1914118E-03 Delta_ex -0.1076730E-02 Delta_ec 0.5110651E-03 Delta_et -0.3023158E-02 Pxc 0.4232888E+01 Qxc -0.2106834E+01 3,+1 65 3 +1 0.050679 2.082555 -2.918061 Rho 0.1206954E-01 |GRAD(Rho)| 0.5951795E-14 GRAD(Rho)x -0.3537181E-15 GRAD(Rho)y -0.3310584E-14 GRAD(Rho)z 0.4933435E-14 Laplacian 0.5495887E-01 (-1/4)Del**2(Rho)) -0.1373972E-01 Diamond 0.1838760E-02 Metallicity 0.7962696E+00 Ellipticity -0.1177060E+01 Gb(Abramov) 0.1098323E-01 Vb(Abramov) -0.8226746E-02 Hb(Abramov) 0.2756486E-02 Ex_ueg -0.2044747E-02 Ec_ueg -0.4627803E-03 Delta_ex -0.2596345E-02 Delta_ec 0.5183136E-03 Delta_et -0.4041413E-02 Pxc 0.4418396E+01 Qxc -0.5009216E+01 3,+1 66 3 -1 0.039291 -0.053044 -4.531689 Rho 0.2082211E+00 |GRAD(Rho)| 0.6079919E-15 GRAD(Rho)x -0.1168228E-15 GRAD(Rho)y 0.5708324E-16 GRAD(Rho)z 0.5939260E-15 Laplacian 0.7730479E+00 (-1/4)Del**2(Rho)) -0.1932620E+00 Diamond 0.2310026E+01 Metallicity 0.6520505E+01 Ellipticity 0.1637711E-01 Gb(Abramov) 0.3388689E+00 Vb(Abramov) -0.4844758E+00 Hb(Abramov) -0.1456069E+00 Ex_ueg -0.9114887E-01 Ec_ueg -0.1227006E-01 Delta_ex -0.9006057E-01 Delta_ec 0.1785033E-01 Delta_et -0.2456558E+00 Pxc 0.7428562E+01 Qxc -0.5045316E+01 3,-1 67 3 +1 0.718386 -0.545914 -1.542880 Rho 0.8542364E-02 |GRAD(Rho)| 0.1022116E-16 GRAD(Rho)x 0.6063035E-17 GRAD(Rho)y -0.5030874E-17 GRAD(Rho)z -0.6511680E-17 Laplacian 0.3443433E-01 (-1/4)Del**2(Rho)) -0.8608584E-02 Diamond 0.9200136E-03 Metallicity 0.7143619E+00 Ellipticity -0.1416931E+01 Gb(Abramov) 0.6763997E-02 Vb(Abramov) -0.4919409E-02 Hb(Abramov) 0.1844587E-02 Ex_ueg -0.1289701E-02 Ec_ueg -0.3024021E-03 Delta_ex -0.1573563E-02 Delta_ec 0.4901583E-03 Delta_et -0.3339854E-02 Pxc 0.4264856E+01 Qxc -0.3210315E+01 3,+1 68 3 +1 1.518235 0.459557 0.796318 Rho 0.7307442E-02 |GRAD(Rho)| 0.5760780E-15 GRAD(Rho)x -0.2180931E-15 GRAD(Rho)y -0.4723822E-15 GRAD(Rho)z -0.2472982E-15 Laplacian 0.2811699E-01 (-1/4)Del**2(Rho)) -0.7029248E-02 Diamond 0.6157780E-03 Metallicity 0.6744038E+00 Ellipticity -0.1419884E+01 Gb(Abramov) 0.5476257E-02 Vb(Abramov) -0.3923266E-02 Hb(Abramov) 0.1552991E-02 Ex_ueg -0.1047303E-02 Ec_ueg -0.2475241E-03 Delta_ex -0.1240248E-02 Delta_ec 0.4086066E-03 Delta_et -0.2666676E-02 Pxc 0.4231115E+01 Qxc -0.3035312E+01 3,+1 69 3 +1 1.496454 0.478652 -0.792278 Rho 0.7172050E-02 |GRAD(Rho)| 0.7941670E-14 GRAD(Rho)x -0.4539598E-14 GRAD(Rho)y -0.5855938E-14 GRAD(Rho)z 0.2858349E-14 Laplacian 0.2745746E-01 (-1/4)Del**2(Rho)) -0.6864365E-02 Diamond 0.5938287E-03 Metallicity 0.6694091E+00 Ellipticity -0.1431883E+01 Gb(Abramov) 0.5342088E-02 Vb(Abramov) -0.3819811E-02 Hb(Abramov) 0.1522277E-02 Ex_ueg -0.1021510E-02 Ec_ueg -0.2415500E-03 Delta_ex -0.1209914E-02 Delta_ec 0.4067965E-03 Delta_et -0.2635468E-02 Pxc 0.4228981E+01 Qxc -0.2974249E+01 3,+1 70 3 +3 -1.675318 -0.141820 1.851336 Rho 0.5056686E-02 |GRAD(Rho)| 0.7453459E-17 GRAD(Rho)x -0.1355253E-17 GRAD(Rho)y 0.3672735E-17 GRAD(Rho)z -0.6342583E-17 Laplacian 0.1996230E-01 (-1/4)Del**2(Rho)) -0.4990576E-02 Diamond 0.2290274E-03 Metallicity 0.5142558E+00 Ellipticity -0.6280751E+00 Gb(Abramov) 0.3754790E-02 Vb(Abramov) -0.2519003E-02 Hb(Abramov) 0.1235787E-02 Ex_ueg -0.6410222E-03 Ec_ueg -0.1493531E-03 Delta_ex -0.7718418E-03 Delta_ec 0.2307602E-03 Delta_et -0.1418115E-02 Pxc 0.4291993E+01 Qxc -0.3344779E+01 3,+3 71 3 +3 1.478162 1.042790 -0.003962 Rho 0.4376299E-02 |GRAD(Rho)| 0.4326129E-17 GRAD(Rho)x 0.1794823E-17 GRAD(Rho)y 0.2693899E-17 GRAD(Rho)z -0.2870002E-17 Laplacian 0.1695691E-01 (-1/4)Del**2(Rho)) -0.4239228E-02 Diamond 0.1048408E-03 Metallicity 0.4758223E+00 Ellipticity -0.1114418E+00 Gb(Abramov) 0.3162339E-02 Vb(Abramov) -0.2085449E-02 Hb(Abramov) 0.1076890E-02 Ex_ueg -0.5286819E-03 Ec_ueg -0.1201720E-03 Delta_ex -0.5714969E-03 Delta_ec 0.8688640E-04 Delta_et -0.6363462E-03 Pxc 0.4399378E+01 Qxc -0.6577519E+01 3,+3 72 3 +3 1.604918 -0.014696 1.573857 Rho 0.4408901E-02 |GRAD(Rho)| 0.7247780E-17 GRAD(Rho)x -0.6929100E-17 GRAD(Rho)y -0.1662081E-17 GRAD(Rho)z -0.1324905E-17 Laplacian 0.1832569E-01 (-1/4)Del**2(Rho)) -0.4581423E-02 Diamond 0.1485013E-03 Metallicity 0.4457623E+00 Ellipticity -0.2854280E+00 Gb(Abramov) 0.3394653E-02 Vb(Abramov) -0.2207883E-02 Hb(Abramov) 0.1186770E-02 Ex_ueg -0.5339397E-03 Ec_ueg -0.1215648E-03 Delta_ex -0.6562625E-03 Delta_ec 0.1606496E-03 Delta_et -0.1010434E-02 Pxc 0.4392224E+01 Qxc -0.4085056E+01 3,+3 73 3 -1 0.676808 0.870231 3.524831 Rho 0.9211911E-01 |GRAD(Rho)| 0.3636286E-14 GRAD(Rho)x -0.2597759E-14 GRAD(Rho)y -0.2447387E-14 GRAD(Rho)z 0.6960781E-15 Laplacian 0.3694792E+00 (-1/4)Del**2(Rho)) -0.9236981E-01 Diamond 0.4117132E+00 Metallicity 0.3504338E+01 Ellipticity 0.2113622E-01 Gb(Abramov) 0.1155290E+00 Vb(Abramov) -0.1386883E+00 Hb(Abramov) -0.2315924E-01 Ex_ueg -0.3072685E-01 Ec_ueg -0.4850182E-02 Delta_ex -0.3524366E-01 Delta_ec 0.1033685E-01 Delta_et -0.1261166E+00 Pxc 0.6335196E+01 Qxc -0.3409516E+01 3,-1 74 3 +1 -1.891893 0.508366 -0.840563 Rho 0.6243802E-02 |GRAD(Rho)| 0.8082625E-17 GRAD(Rho)x 0.6505213E-17 GRAD(Rho)y -0.4472334E-17 GRAD(Rho)z 0.1734723E-17 Laplacian 0.2420189E-01 (-1/4)Del**2(Rho)) -0.6050472E-02 Diamond 0.5684993E-03 Metallicity 0.6028082E+00 Ellipticity -0.1768712E+01 Gb(Abramov) 0.4641527E-02 Vb(Abramov) -0.3232582E-02 Hb(Abramov) 0.1408945E-02 Ex_ueg -0.8491490E-03 Ec_ueg -0.2008252E-03 Delta_ex -0.1123985E-02 Delta_ec 0.5248038E-03 Delta_et -0.3139249E-02 Pxc 0.4228299E+01 Qxc -0.2141724E+01 3,+1 75 3 +1 0.562463 1.092844 -2.510437 Rho 0.2297878E-01 |GRAD(Rho)| 0.1932034E-16 GRAD(Rho)x 0.3805949E-17 GRAD(Rho)y -0.5135497E-17 GRAD(Rho)z -0.1823230E-16 Laplacian 0.8523520E-01 (-1/4)Del**2(Rho)) -0.2130880E-01 Diamond 0.9164411E-02 Metallicity 0.1501547E+01 Ellipticity -0.2770973E+01 Gb(Abramov) 0.1953856E-01 Vb(Abramov) -0.1776832E-01 Hb(Abramov) 0.1770238E-02 Ex_ueg -0.4824892E-02 Ec_ueg -0.9874972E-03 Delta_ex -0.5090820E-02 Delta_ec 0.1280977E-02 Delta_et -0.1112292E-01 Pxc 0.4885981E+01 Qxc -0.3974169E+01 3,+1 76 3 -1 0.708205 0.835152 -3.515247 Rho 0.7948221E-01 |GRAD(Rho)| 0.1026193E-15 GRAD(Rho)x 0.6197909E-16 GRAD(Rho)y 0.8167769E-16 GRAD(Rho)z 0.4251258E-17 Laplacian 0.3190782E+00 (-1/4)Del**2(Rho)) -0.7976954E-01 Diamond 0.2961787E+00 Metallicity 0.3173214E+01 Ellipticity 0.2073442E-01 Gb(Abramov) 0.9536733E-01 Vb(Abramov) -0.1109651E+00 Hb(Abramov) -0.1559779E-01 Ex_ueg -0.2523936E-01 Ec_ueg -0.4099956E-02 Delta_ex -0.2939678E-01 Delta_ec 0.9158801E-02 Delta_et -0.1082201E+00 Pxc 0.6156006E+01 Qxc -0.3209675E+01 3,-1 77 3 +1 0.567327 1.128096 2.500887 Rho 0.2572670E-01 |GRAD(Rho)| 0.1830298E-15 GRAD(Rho)x -0.1193808E-16 GRAD(Rho)y -0.1822886E-15 GRAD(Rho)z 0.1132568E-16 Laplacian 0.9717329E-01 (-1/4)Del**2(Rho)) -0.2429332E-01 Diamond 0.1247608E-01 Metallicity 0.1589912E+01 Ellipticity -0.3261354E+01 Gb(Abramov) 0.2263292E-01 Vb(Abramov) -0.2097253E-01 Hb(Abramov) 0.1660398E-02 Ex_ueg -0.5609153E-02 Ec_ueg -0.1125372E-02 Delta_ex -0.6012299E-02 Delta_ec 0.1510004E-02 Delta_et -0.1345199E-01 Pxc 0.4984266E+01 Qxc -0.3981645E+01 3,+1 78 3 -1 -0.932768 1.668120 -1.600364 Rho 0.5388359E-01 |GRAD(Rho)| 0.7926273E-16 GRAD(Rho)x 0.4380854E-16 GRAD(Rho)y -0.6603130E-16 GRAD(Rho)z -0.1805239E-17 Laplacian 0.2001444E+00 (-1/4)Del**2(Rho)) -0.5003609E-01 Diamond 0.1102772E+00 Metallicity 0.2646655E+01 Ellipticity 0.9644985E-02 Gb(Abramov) 0.5542878E-01 Vb(Abramov) -0.6082146E-01 Hb(Abramov) -0.5392685E-02 Ex_ueg -0.1503121E-01 Ec_ueg -0.2630643E-02 Delta_ex -0.1670882E-01 Delta_ec 0.5817931E-02 Delta_et -0.6250160E-01 Pxc 0.5713890E+01 Qxc -0.2871952E+01 3,-1 79 3 +1 0.663830 1.671675 -0.013774 Rho 0.7797339E-02 |GRAD(Rho)| 0.2262030E-15 GRAD(Rho)x -0.5681210E-16 GRAD(Rho)y -0.1249344E-15 GRAD(Rho)z 0.1798098E-15 Laplacian 0.3060895E-01 (-1/4)Del**2(Rho)) -0.7652237E-02 Diamond 0.7215711E-03 Metallicity 0.6902537E+00 Ellipticity -0.1408548E+01 Gb(Abramov) 0.5981822E-02 Vb(Abramov) -0.4311407E-02 Hb(Abramov) 0.1670415E-02 Ex_ueg -0.1141950E-02 Ec_ueg -0.2692112E-03 Delta_ex -0.1366677E-02 Delta_ec 0.4350847E-03 Delta_et -0.2895919E-02 Pxc 0.4241835E+01 Qxc -0.3141175E+01 3,+1 80 3 -1 -0.594325 -2.139433 -2.493403 Rho 0.6686843E-02 |GRAD(Rho)| 0.3386007E-16 GRAD(Rho)x 0.8009838E-17 GRAD(Rho)y 0.2960762E-16 GRAD(Rho)z -0.1434350E-16 Laplacian 0.2614913E-01 (-1/4)Del**2(Rho)) -0.6537282E-02 Diamond 0.1175394E-02 Metallicity 0.6254479E+00 Ellipticity 0.5316565E+00 Gb(Abramov) 0.5039643E-02 Vb(Abramov) -0.3542004E-02 Hb(Abramov) 0.1497639E-02 Ex_ueg -0.9304218E-03 Ec_ueg -0.2202115E-03 Delta_ex -0.1549274E-02 Delta_ec 0.1131343E-02 Delta_et -0.6583807E-02 Pxc 0.4225128E+01 Qxc -0.1369411E+01 3,-1 81 3 -1 0.779105 1.716179 -1.614097 Rho 0.3871935E-01 |GRAD(Rho)| 0.1013982E-13 GRAD(Rho)x 0.8388939E-14 GRAD(Rho)y -0.5317722E-14 GRAD(Rho)z 0.2040445E-14 Laplacian 0.1424047E+00 (-1/4)Del**2(Rho)) -0.3560118E-01 Diamond 0.4893677E-01 Metallicity 0.2144383E+01 Ellipticity 0.1425017E-01 Gb(Abramov) 0.3645788E-01 Vb(Abramov) -0.3731458E-01 Hb(Abramov) -0.8566994E-03 Ex_ueg -0.9674366E-02 Ec_ueg -0.1801536E-02 Delta_ex -0.1087289E-01 Delta_ec 0.4028264E-02 Delta_et -0.3966285E-01 Pxc 0.5370064E+01 Qxc -0.2699150E+01 3,-1 82 3 +1 1.950973 0.156482 2.183212 Rho 0.5432266E-02 |GRAD(Rho)| 0.1530700E-16 GRAD(Rho)x -0.9552923E-17 GRAD(Rho)y -0.9312244E-17 GRAD(Rho)z 0.7505193E-17 Laplacian 0.2226878E-01 (-1/4)Del**2(Rho)) -0.5567194E-02 Diamond 0.5844640E-03 Metallicity 0.5194597E+00 Ellipticity -0.3857594E+01 Gb(Abramov) 0.4193452E-02 Vb(Abramov) -0.2819709E-02 Hb(Abramov) 0.1373743E-02 Ex_ueg -0.7052771E-03 Ec_ueg -0.1655621E-03 Delta_ex -0.1128393E-02 Delta_ec 0.7070194E-03 Delta_et -0.3934121E-02 Pxc 0.4259893E+01 Qxc -0.1595986E+01 3,+1 83 3 +3 1.582186 -0.001874 -1.568728 Rho 0.4286129E-02 |GRAD(Rho)| 0.2622637E-17 GRAD(Rho)x -0.3440294E-18 GRAD(Rho)y -0.4676217E-18 GRAD(Rho)z -0.2557576E-17 Laplacian 0.1778716E-01 (-1/4)Del**2(Rho)) -0.4446790E-02 Diamond 0.1373896E-03 Metallicity 0.4381423E+00 Ellipticity -0.3297772E+00 Gb(Abramov) 0.3289248E-02 Vb(Abramov) -0.2131706E-02 Hb(Abramov) 0.1157542E-02 Ex_ueg -0.5142078E-03 Ec_ueg -0.1163226E-03 Delta_ex -0.6308715E-03 Delta_ec 0.1532250E-03 Delta_et -0.9612777E-03 Pxc 0.4420534E+01 Qxc -0.4117288E+01 3,+3 84 3 -1 0.793105 1.716227 1.601304 Rho 0.4468729E-01 |GRAD(Rho)| 0.1726305E-12 GRAD(Rho)x 0.1066512E-13 GRAD(Rho)y 0.1649051E-12 GRAD(Rho)z 0.4993871E-13 Laplacian 0.1690755E+00 (-1/4)Del**2(Rho)) -0.4226888E-01 Diamond 0.7157531E-01 Metallicity 0.2293537E+01 Ellipticity 0.1083004E-01 Gb(Abramov) 0.4433679E-01 Vb(Abramov) -0.4640471E-01 Hb(Abramov) -0.2067916E-02 Ex_ueg -0.1171198E-01 Ec_ueg -0.2123382E-02 Delta_ex -0.1343059E-01 Delta_ec 0.4863593E-02 Delta_et -0.4975596E-01 Pxc 0.5515720E+01 Qxc -0.2761455E+01 3,-1 85 3 -1 1.551599 2.015380 -2.738293 Rho 0.1733339E+00 |GRAD(Rho)| 0.3686293E-13 GRAD(Rho)x -0.9156209E-14 GRAD(Rho)y 0.3495186E-13 GRAD(Rho)z 0.7307983E-14 Laplacian 0.6708377E+00 (-1/4)Del**2(Rho)) -0.1677094E+00 Diamond 0.1617150E+01 Metallicity 0.5535220E+01 Ellipticity 0.4367186E-01 Gb(Abramov) 0.2665244E+00 Vb(Abramov) -0.3653393E+00 Hb(Abramov) -0.9881495E-01 Ex_ueg -0.7137778E-01 Ec_ueg -0.9953595E-02 Delta_ex -0.7467260E-01 Delta_ec 0.1640557E-01 Delta_et -0.2224061E+00 Pxc 0.7171056E+01 Qxc -0.4551661E+01 3,-1 86 3 +1 -0.078140 2.184096 -1.740820 Rho 0.2486308E-01 |GRAD(Rho)| 0.3993266E-16 GRAD(Rho)x -0.2749564E-16 GRAD(Rho)y 0.2884942E-16 GRAD(Rho)z 0.2513496E-17 Laplacian 0.9402483E-01 (-1/4)Del**2(Rho)) -0.2350621E-01 Diamond 0.1206301E-01 Metallicity 0.1552251E+01 Ellipticity -0.3904125E+01 Gb(Abramov) 0.2175206E-01 Vb(Abramov) -0.1999792E-01 Hb(Abramov) 0.1754145E-02 Ex_ueg -0.5359508E-02 Ec_ueg -0.1081823E-02 Delta_ex -0.5823754E-02 Delta_ec 0.1567836E-02 Delta_et -0.1382753E-01 Pxc 0.4954146E+01 Qxc -0.3714516E+01 3,+1 87 3 -1 -0.899779 1.667230 1.579393 Rho 0.5675944E-01 |GRAD(Rho)| 0.7205402E-16 GRAD(Rho)x -0.1810702E-16 GRAD(Rho)y 0.6362911E-16 GRAD(Rho)z 0.2855263E-16 Laplacian 0.2148932E+00 (-1/4)Del**2(Rho)) -0.5372329E-01 Diamond 0.1265432E+00 Metallicity 0.2688153E+01 Ellipticity 0.1647727E-01 Gb(Abramov) 0.5988493E-01 Vb(Abramov) -0.6604658E-01 Hb(Abramov) -0.6161644E-02 Ex_ueg -0.1611026E-01 Ec_ueg -0.2791782E-02 Delta_ex -0.1815989E-01 Delta_ec 0.6209271E-02 Delta_et -0.6758119E-01 Pxc 0.5770600E+01 Qxc -0.2924641E+01 3,-1 88 3 -1 1.519093 2.018548 2.724628 Rho 0.1651741E+00 |GRAD(Rho)| 0.5047324E-15 GRAD(Rho)x 0.5593128E-16 GRAD(Rho)y -0.1824577E-15 GRAD(Rho)z 0.4672640E-15 Laplacian 0.6429235E+00 (-1/4)Del**2(Rho)) -0.1607309E+00 Diamond 0.1461658E+01 Metallicity 0.5329548E+01 Ellipticity 0.4466736E-01 Gb(Abramov) 0.2499244E+00 Vb(Abramov) -0.3391179E+00 Hb(Abramov) -0.8919351E-01 Ex_ueg -0.6693309E-01 Ec_ueg -0.9421846E-02 Delta_ex -0.7070009E-01 Delta_ec 0.1590402E-01 Delta_et -0.2143500E+00 Pxc 0.7104031E+01 Qxc -0.4445422E+01 3,-1 89 3 +1 2.147964 -0.111678 2.000838 Rho 0.5425444E-02 |GRAD(Rho)| 0.3431774E-12 GRAD(Rho)x 0.1103432E-13 GRAD(Rho)y 0.3323734E-12 GRAD(Rho)z -0.8471666E-13 Laplacian 0.2215693E-01 (-1/4)Del**2(Rho)) -0.5539233E-02 Diamond 0.5772764E-03 Metallicity 0.5209895E+00 Ellipticity -0.3505380E+01 Gb(Abramov) 0.4173802E-02 Vb(Abramov) -0.2808372E-02 Hb(Abramov) 0.1365431E-02 Ex_ueg -0.7040963E-03 Ec_ueg -0.1652671E-03 Delta_ex -0.1119728E-02 Delta_ec 0.6986064E-03 Delta_et -0.3887773E-02 Pxc 0.4260354E+01 Qxc -0.1602802E+01 3,+1 90 3 -1 2.083733 0.001442 -2.068232 Rho 0.5446266E-02 |GRAD(Rho)| 0.7852922E-14 GRAD(Rho)x -0.2423170E-14 GRAD(Rho)y 0.5894731E-14 GRAD(Rho)z -0.4587895E-14 Laplacian 0.2195983E-01 (-1/4)Del**2(Rho)) -0.5489958E-02 Diamond 0.6661379E-03 Metallicity 0.5290324E+00 Ellipticity 0.3578282E+01 Gb(Abramov) 0.4144033E-02 Vb(Abramov) -0.2798108E-02 Hb(Abramov) 0.1345925E-02 Ex_ueg -0.7077017E-03 Ec_ueg -0.1661677E-03 Delta_ex -0.1186027E-02 Delta_ec 0.8270657E-03 Delta_et -0.4554129E-02 Pxc 0.4258960E+01 Qxc -0.1434018E+01 3,-1 91 3 +1 2.183391 -0.136221 -1.977449 Rho 0.5425863E-02 |GRAD(Rho)| 0.7958814E-13 GRAD(Rho)x 0.5458964E-13 GRAD(Rho)y -0.5791302E-13 GRAD(Rho)z 0.5706062E-15 Laplacian 0.2230081E-01 (-1/4)Del**2(Rho)) -0.5575202E-02 Diamond 0.5824348E-03 Metallicity 0.5176949E+00 Ellipticity -0.3371711E+01 Gb(Abramov) 0.4197844E-02 Vb(Abramov) -0.2820485E-02 Hb(Abramov) 0.1377358E-02 Ex_ueg -0.7041689E-03 Ec_ueg -0.1652852E-03 Delta_ex -0.1128139E-02 Delta_ec 0.7051490E-03 Delta_et -0.3923471E-02 Pxc 0.4260326E+01 Qxc -0.1599859E+01 3,+1 92 3 -1 2.040126 0.033049 2.096089 Rho 0.5445486E-02 |GRAD(Rho)| 0.6689465E-15 GRAD(Rho)x -0.1449972E-15 GRAD(Rho)y -0.6482157E-15 GRAD(Rho)z -0.7925631E-16 Laplacian 0.2192321E-01 (-1/4)Del**2(Rho)) -0.5480803E-02 Diamond 0.6513352E-03 Metallicity 0.5297895E+00 Ellipticity 0.4757878E+01 Gb(Abramov) 0.4137814E-02 Vb(Abramov) -0.2794825E-02 Hb(Abramov) 0.1342989E-02 Ex_ueg -0.7075664E-03 Ec_ueg -0.1661340E-03 Delta_ex -0.1172779E-02 Delta_ec 0.8056183E-03 Delta_et -0.4442551E-02 Pxc 0.4259011E+01 Qxc -0.1455750E+01 3,-1 93 3 +1 -1.536320 0.579782 1.004696 Rho 0.1259415E-01 |GRAD(Rho)| 0.2791742E-14 GRAD(Rho)x -0.1416022E-14 GRAD(Rho)y -0.2620923E-15 GRAD(Rho)z -0.2391655E-14 Laplacian 0.5159318E-01 (-1/4)Del**2(Rho)) -0.1289829E-01 Diamond 0.1958642E-02 Metallicity 0.9105473E+00 Ellipticity -0.1352613E+01 Gb(Abramov) 0.1055628E-01 Vb(Abramov) -0.8214268E-02 Hb(Abramov) 0.2342014E-02 Ex_ueg -0.2164099E-02 Ec_ueg -0.4870662E-03 Delta_ex -0.2500780E-02 Delta_ec 0.5485417E-03 Delta_et -0.4252564E-02 Pxc 0.4443130E+01 Qxc -0.4558961E+01 3,+1 94 3 +1 1.663857 -2.230606 -0.143438 Rho 0.2787926E-01 |GRAD(Rho)| 0.6123993E-15 GRAD(Rho)x 0.1147212E-15 GRAD(Rho)y -0.3722762E-15 GRAD(Rho)z -0.4725277E-15 Laplacian 0.1092195E+00 (-1/4)Del**2(Rho)) -0.2730488E-01 Diamond 0.1607309E-01 Metallicity 0.1617267E+01 Ellipticity -0.3715796E+01 Gb(Abramov) 0.2556313E-01 Vb(Abramov) -0.2382139E-01 Hb(Abramov) 0.1741746E-02 Ex_ueg -0.6243480E-02 Ec_ueg -0.1234745E-02 Delta_ex -0.6944907E-02 Delta_ec 0.1765261E-02 Delta_et -0.1601271E-01 Pxc 0.5056493E+01 Qxc -0.3934209E+01 3,+1 95 3 -1 4.519830 0.076264 -0.000119 Rho 0.2228400E+00 |GRAD(Rho)| 0.1330951E-10 GRAD(Rho)x 0.9376617E-11 GRAD(Rho)y 0.7428230E-11 GRAD(Rho)z -0.5834678E-11 Laplacian 0.8108286E+00 (-1/4)Del**2(Rho)) -0.2027071E+00 Diamond 0.2636894E+01 Metallicity 0.6961018E+01 Ellipticity 0.1965394E-03 Gb(Abramov) 0.3703128E+00 Vb(Abramov) -0.5379184E+00 Hb(Abramov) -0.1676056E+00 Ex_ueg -0.9977980E-01 Ec_ueg -0.1326096E-01 Delta_ex -0.9617556E-01 Delta_ec 0.1845143E-01 Delta_et -0.2553498E+00 Pxc 0.7524325E+01 Qxc -0.5212364E+01 3,-1 96 3 -1 -1.495482 2.021961 -2.786599 Rho 0.1373076E+00 |GRAD(Rho)| 0.2571674E-15 GRAD(Rho)x 0.1206039E-15 GRAD(Rho)y -0.4730510E-16 GRAD(Rho)z -0.2221530E-15 Laplacian 0.5282156E+00 (-1/4)Del**2(Rho)) -0.1320539E+00 Diamond 0.9748724E+00 Metallicity 0.4767524E+01 Ellipticity 0.4271183E-01 Gb(Abramov) 0.1929643E+00 Vb(Abramov) -0.2538747E+00 Hb(Abramov) -0.6091039E-01 Ex_ueg -0.5231720E-01 Ec_ueg -0.7636036E-02 Delta_ex -0.5565078E-01 Delta_ec 0.1394193E-01 Delta_et -0.1837037E+00 Pxc 0.6851355E+01 Qxc -0.3991614E+01 3,-1 97 3 +3 -0.012994 2.279927 -0.010168 Rho 0.4682993E-02 |GRAD(Rho)| 0.2973438E-17 GRAD(Rho)x -0.4082897E-18 GRAD(Rho)y 0.2842378E-17 GRAD(Rho)z 0.7717000E-18 Laplacian 0.1947154E-01 (-1/4)Del**2(Rho)) -0.4867884E-02 Diamond 0.1684311E-03 Metallicity 0.4638941E+00 Ellipticity -0.2856521E+00 Gb(Abramov) 0.3621620E-02 Vb(Abramov) -0.2375356E-02 Hb(Abramov) 0.1246264E-02 Ex_ueg -0.5786506E-03 Ec_ueg -0.1332963E-03 Delta_ex -0.7053356E-03 Delta_ec 0.1655886E-03 Delta_et -0.1063914E-02 Pxc 0.4341085E+01 Qxc -0.4259566E+01 3,+3 98 3 +1 -0.026480 2.179842 1.721738 Rho 0.2754784E-01 |GRAD(Rho)| 0.3724245E-16 GRAD(Rho)x -0.9263138E-17 GRAD(Rho)y 0.3545457E-16 GRAD(Rho)z 0.6645889E-17 Laplacian 0.1069963E+00 (-1/4)Del**2(Rho)) -0.2674907E-01 Diamond 0.1604999E-01 Metallicity 0.1618293E+01 Ellipticity -0.4661417E+01 Gb(Abramov) 0.2504735E-01 Vb(Abramov) -0.2334563E-01 Hb(Abramov) 0.1701719E-02 Ex_ueg -0.6144715E-02 Ec_ueg -0.1217830E-02 Delta_ex -0.6835139E-02 Delta_ec 0.1825019E-02 Delta_et -0.1649212E-01 Pxc 0.5045626E+01 Qxc -0.3745243E+01 3,+1 99 3 -1 -0.088698 0.506987 2.449743 Rho 0.4814703E-01 |GRAD(Rho)| 0.1211340E-12 GRAD(Rho)x 0.8455289E-13 GRAD(Rho)y -0.6881377E-13 GRAD(Rho)z -0.5281029E-13 Laplacian 0.1774116E+00 (-1/4)Del**2(Rho)) -0.4435291E-01 Diamond 0.8347147E-01 Metallicity 0.2475029E+01 Ellipticity 0.1205312E-01 Gb(Abramov) 0.4786439E-01 Vb(Abramov) -0.5137588E-01 Hb(Abramov) -0.3511485E-02 Ex_ueg -0.1293633E-01 Ec_ueg -0.2312708E-02 Delta_ex -0.1437622E-01 Delta_ec 0.5128810E-02 Delta_et -0.5350990E-01 Pxc 0.5593587E+01 Qxc -0.2803032E+01 3,-1 100 3 +1 -1.828388 -0.246869 1.862447 Rho 0.5084071E-02 |GRAD(Rho)| 0.1479990E-15 GRAD(Rho)x -0.4531965E-16 GRAD(Rho)y 0.5610407E-16 GRAD(Rho)z -0.1292369E-15 Laplacian 0.1953975E-01 (-1/4)Del**2(Rho)) -0.4884939E-02 Diamond 0.2931761E-03 Metallicity 0.5301271E+00 Ellipticity -0.1286354E+01 Gb(Abramov) 0.3688232E-02 Vb(Abramov) -0.2491526E-02 Hb(Abramov) 0.1196706E-02 Ex_ueg -0.6456550E-03 Ec_ueg -0.1505325E-03 Delta_ex -0.8176834E-03 Delta_ec 0.3350756E-03 Delta_et -0.1941955E-02 Pxc 0.4289140E+01 Qxc -0.2440295E+01 3,+1 101 3 -1 -0.837172 -0.515716 3.450913 Rho 0.2213488E+00 |GRAD(Rho)| 0.5507951E-15 GRAD(Rho)x 0.4378550E-15 GRAD(Rho)y 0.2311519E-15 GRAD(Rho)z 0.2413027E-15 Laplacian 0.8678251E+00 (-1/4)Del**2(Rho)) -0.2169563E+00 Diamond 0.2749319E+01 Metallicity 0.6431458E+01 Ellipticity 0.7978972E-02 Gb(Abramov) 0.3771951E+00 Vb(Abramov) -0.5374338E+00 Hb(Abramov) -0.1602388E+00 Ex_ueg -0.9889049E-01 Ec_ueg -0.1315934E-01 Delta_ex -0.1024598E+00 Delta_ec 0.1925452E-01 Delta_et -0.2642620E+00 Pxc 0.7514850E+01 Qxc -0.5321336E+01 3,-1 102 3 -1 -0.797880 -0.548821 -3.412501 Rho 0.2123034E+00 |GRAD(Rho)| 0.1570389E-15 GRAD(Rho)x 0.1103176E-15 GRAD(Rho)y -0.1117270E-15 GRAD(Rho)z -0.2886688E-17 Laplacian 0.8233573E+00 (-1/4)Del**2(Rho)) -0.2058393E+00 Diamond 0.2486739E+01 Metallicity 0.6323436E+01 Ellipticity 0.1153156E-01 Gb(Abramov) 0.3541615E+00 Vb(Abramov) -0.5024837E+00 Hb(Abramov) -0.1483222E+00 Ex_ueg -0.9353936E-01 Ec_ueg -0.1254558E-01 Delta_ex -0.9620257E-01 Delta_ec 0.1855402E-01 Delta_et -0.2543471E+00 Pxc 0.7455962E+01 Qxc -0.5184998E+01 3,-1 103 3 -1 -0.556119 -2.091629 2.519097 Rho 0.5815144E-02 |GRAD(Rho)| 0.6736824E-17 GRAD(Rho)x -0.3850718E-17 GRAD(Rho)y 0.4539991E-17 GRAD(Rho)z 0.3153610E-17 Laplacian 0.2313280E-01 (-1/4)Del**2(Rho)) -0.5783201E-02 Diamond 0.7974805E-03 Metallicity 0.5601689E+00 Ellipticity 0.2298157E+01 Gb(Abramov) 0.4395396E-02 Vb(Abramov) -0.3007590E-02 Hb(Abramov) 0.1387806E-02 Ex_ueg -0.7723230E-03 Ec_ueg -0.1821587E-03 Delta_ex -0.1288187E-02 Delta_ec 0.9134884E-03 Delta_et -0.5117483E-02 Pxc 0.4239837E+01 Qxc -0.1410185E+01 3,-1 104 3 -1 0.027252 -0.006226 4.555633 Rho 0.2200018E+00 |GRAD(Rho)| 0.3996392E-08 GRAD(Rho)x 0.5805625E-09 GRAD(Rho)y -0.3869021E-09 GRAD(Rho)z 0.3935022E-08 Laplacian 0.8178845E+00 (-1/4)Del**2(Rho)) -0.2044711E+00 Diamond 0.2611400E+01 Metallicity 0.6755095E+01 Ellipticity 0.1866204E-01 Gb(Abramov) 0.3665177E+00 Vb(Abramov) -0.5285643E+00 Hb(Abramov) -0.1620466E+00 Ex_ueg -0.9808892E-01 Ec_ueg -0.1306766E-01 Delta_ex -0.9664537E-01 Delta_ec 0.1859736E-01 Delta_et -0.2568540E+00 Pxc 0.7506235E+01 Qxc -0.5196725E+01 3,-1 105 3 -1 -0.696106 0.885976 -3.575248 Rho 0.1237492E+00 |GRAD(Rho)| 0.8116788E-16 GRAD(Rho)x 0.2915826E-16 GRAD(Rho)y 0.4982587E-16 GRAD(Rho)z 0.5705614E-16 Laplacian 0.4712009E+00 (-1/4)Del**2(Rho)) -0.1178002E+00 Diamond 0.7591520E+00 Metallicity 0.4494119E+01 Ellipticity 0.4669944E-01 Gb(Abramov) 0.1667682E+00 Vb(Abramov) -0.2157362E+00 Hb(Abramov) -0.4896797E-01 Ex_ueg -0.4554511E-01 Ec_ueg -0.6784931E-02 Delta_ex -0.4831168E-01 Delta_ec 0.1255523E-01 Delta_et -0.1622828E+00 Pxc 0.6712686E+01 Qxc -0.3847933E+01 3,-1 106 3 -1 -0.094811 0.476254 -2.442353 Rho 0.4500214E-01 |GRAD(Rho)| 0.2974134E-15 GRAD(Rho)x -0.6643784E-17 GRAD(Rho)y 0.1034876E-15 GRAD(Rho)z 0.2787488E-15 Laplacian 0.1701898E+00 (-1/4)Del**2(Rho)) -0.4254745E-01 Diamond 0.7525288E-01 Metallicity 0.2305340E+01 Ellipticity 0.1223563E-01 Gb(Abramov) 0.4471268E-01 Vb(Abramov) -0.4687792E-01 Hb(Abramov) -0.2165238E-02 Ex_ueg -0.1182214E-01 Ec_ueg -0.2140532E-02 Delta_ex -0.1366772E-01 Delta_ec 0.5118056E-02 Delta_et -0.5250193E-01 Pxc 0.5522989E+01 Qxc -0.2670491E+01 3,-1 107 3 -1 -0.114004 0.366044 -0.557003 Rho 0.1352209E+00 |GRAD(Rho)| 0.3896207E-15 GRAD(Rho)x 0.2834232E-15 GRAD(Rho)y 0.1977061E-15 GRAD(Rho)z -0.1799662E-15 Laplacian 0.6897054E+00 (-1/4)Del**2(Rho)) -0.1724263E+00 Diamond 0.1471862E+01 Metallicity 0.3559228E+01 Ellipticity 0.6738477E-02 Gb(Abramov) 0.2172350E+00 Vb(Abramov) -0.2620437E+00 Hb(Abramov) -0.4480865E-01 Ex_ueg -0.5125978E-01 Ec_ueg -0.7504259E-02 Delta_ex -0.7493737E-01 Delta_ec 0.2280830E-01 Delta_et -0.3086173E+00 Pxc 0.6830758E+01 Qxc -0.3285530E+01 3,-1 108 3 -1 -0.097353 0.372751 0.567450 Rho 0.1324116E+00 |GRAD(Rho)| 0.1535647E-14 GRAD(Rho)x 0.3464548E-15 GRAD(Rho)y -0.8437864E-15 GRAD(Rho)z -0.1235397E-14 Laplacian 0.6707303E+00 (-1/4)Del**2(Rho)) -0.1676826E+00 Diamond 0.1398325E+01 Metallicity 0.3534070E+01 Ellipticity 0.2824001E-02 Gb(Abramov) 0.2105554E+00 Vb(Abramov) -0.2534282E+00 Hb(Abramov) -0.4287281E-01 Ex_ueg -0.4984478E-01 Ec_ueg -0.7327298E-02 Delta_ex -0.7255776E-01 Delta_ec 0.2233713E-01 Delta_et -0.3010451E+00 Pxc 0.6802615E+01 Qxc -0.3248303E+01 3,-1 109 3 -1 -0.730407 0.921220 3.578600 Rho 0.1371879E+00 |GRAD(Rho)| 0.6482785E-16 GRAD(Rho)x 0.4469623E-16 GRAD(Rho)y 0.2878557E-16 GRAD(Rho)z -0.3709835E-16 Laplacian 0.5263207E+00 (-1/4)Del**2(Rho)) -0.1315802E+00 Diamond 0.9681534E+00 Metallicity 0.4777738E+01 Ellipticity 0.3876363E-01 Gb(Abramov) 0.1924961E+00 Vb(Abramov) -0.2534119E+00 Hb(Abramov) -0.6091587E-01 Ex_ueg -0.5225639E-01 Ec_ueg -0.7628469E-02 Delta_ex -0.5541471E-01 Delta_ec 0.1385066E-01 Delta_et -0.1823883E+00 Pxc 0.6850181E+01 Qxc -0.4000872E+01 3,-1 110 3 +1 -0.665929 1.203413 2.483369 Rho 0.2803127E-01 |GRAD(Rho)| 0.1369044E-15 GRAD(Rho)x -0.6584049E-17 GRAD(Rho)y -0.8966009E-16 GRAD(Rho)z 0.1032498E-15 Laplacian 0.1053973E+00 (-1/4)Del**2(Rho)) -0.2634932E-01 Diamond 0.1515952E-01 Metallicity 0.1691174E+01 Ellipticity -0.3787817E+01 Gb(Abramov) 0.2499310E-01 Vb(Abramov) -0.2363687E-01 Hb(Abramov) 0.1356226E-02 Ex_ueg -0.6288910E-02 Ec_ueg -0.1242512E-02 Delta_ex -0.6668125E-02 Delta_ec 0.1625606E-02 Delta_et -0.1477670E-01 Pxc 0.5061447E+01 Qxc -0.4101932E+01 3,+1 111 3 -1 2.333375 1.817931 -1.565191 Rho 0.1335174E+00 |GRAD(Rho)| 0.2549457E-15 GRAD(Rho)x 0.2438913E-15 GRAD(Rho)y 0.4121324E-16 GRAD(Rho)z 0.6177242E-16 Laplacian 0.5607900E+00 (-1/4)Del**2(Rho)) -0.1401975E+00 Diamond 0.9923197E+00 Metallicity 0.4285905E+01 Ellipticity 0.1157726E-01 Gb(Abramov) 0.1936106E+00 Vb(Abramov) -0.2470236E+00 Hb(Abramov) -0.5341304E-01 Ex_ueg -0.5040058E-01 Ec_ueg -0.7396892E-02 Delta_ex -0.5858640E-01 Delta_ec 0.1472587E-01 Delta_et -0.1928324E+00 Pxc 0.6813750E+01 Qxc -0.3978467E+01 3,-1 112 3 +1 2.461196 1.772055 0.009071 Rho 0.1276677E-01 |GRAD(Rho)| 0.1747073E-13 GRAD(Rho)x -0.1735884E-13 GRAD(Rho)y -0.5728212E-15 GRAD(Rho)z 0.1889164E-14 Laplacian 0.6390156E-01 (-1/4)Del**2(Rho)) -0.1597539E-01 Diamond 0.2715340E-02 Metallicity 0.7520329E+00 Ellipticity -0.1246210E+01 Gb(Abramov) 0.1265260E-01 Vb(Abramov) -0.9329802E-02 Hb(Abramov) 0.3322794E-02 Ex_ueg -0.2203737E-02 Ec_ueg -0.4950805E-03 Delta_ex -0.3173666E-02 Delta_ec 0.7950840E-03 Delta_et -0.6078032E-02 Pxc 0.4451270E+01 Qxc -0.3991611E+01 3,+1 113 3 -1 2.329224 1.812516 1.565428 Rho 0.1448073E+00 |GRAD(Rho)| 0.5275538E-15 GRAD(Rho)x 0.4640114E-15 GRAD(Rho)y -0.1589034E-15 GRAD(Rho)z -0.1943094E-15 Laplacian 0.6019114E+00 (-1/4)Del**2(Rho)) -0.1504779E+00 Diamond 0.1169452E+01 Metallicity 0.4571564E+01 Ellipticity 0.1687987E-01 Gb(Abramov) 0.2149718E+00 Vb(Abramov) -0.2794657E+00 Hb(Abramov) -0.6449391E-01 Ex_ueg -0.5616155E-01 Ec_ueg -0.8111941E-02 Delta_ex -0.6408581E-01 Delta_ec 0.1540952E-01 Delta_et -0.2041156E+00 Pxc 0.6923319E+01 Qxc -0.4158845E+01 3,-1 114 3 -1 1.643644 2.780434 -0.895466 Rho 0.1323072E+00 |GRAD(Rho)| 0.4251028E-15 GRAD(Rho)x 0.6229673E-16 GRAD(Rho)y 0.5730008E-16 GRAD(Rho)z -0.4165911E-15 Laplacian 0.5523706E+00 (-1/4)Del**2(Rho)) -0.1380927E+00 Diamond 0.9655203E+00 Metallicity 0.4285701E+01 Ellipticity 0.1227767E-01 Gb(Abramov) 0.1906991E+00 Vb(Abramov) -0.2433055E+00 Hb(Abramov) -0.5260643E-01 Ex_ueg -0.4979241E-01 Ec_ueg -0.7320734E-02 Delta_ex -0.5756514E-01 Delta_ec 0.1450982E-01 Delta_et -0.1896757E+00 Pxc 0.6801560E+01 Qxc -0.3967321E+01 3,-1 115 3 +1 2.277859 -1.322877 -0.724508 Rho 0.2189625E-01 |GRAD(Rho)| 0.6032516E-16 GRAD(Rho)x -0.5453470E-16 GRAD(Rho)y 0.1854530E-17 GRAD(Rho)z 0.2572261E-16 Laplacian 0.8154857E-01 (-1/4)Del**2(Rho)) -0.2038714E-01 Diamond 0.8901321E-02 Metallicity 0.1448148E+01 Ellipticity -0.3598000E+01 Gb(Abramov) 0.1851203E-01 Vb(Abramov) -0.1663691E-01 Hb(Abramov) 0.1875113E-02 Ex_ueg -0.4524230E-02 Ec_ueg -0.9337518E-03 Delta_ex -0.4898000E-02 Delta_ec 0.1387012E-02 Delta_et -0.1184792E-01 Pxc 0.4845217E+01 Qxc -0.3531331E+01 3,+1 116 3 -1 2.653035 -1.990600 -1.509624 Rho 0.7709406E-01 |GRAD(Rho)| 0.2021640E-15 GRAD(Rho)x 0.1834809E-15 GRAD(Rho)y 0.7624313E-16 GRAD(Rho)z 0.3731011E-16 Laplacian 0.3094974E+00 (-1/4)Del**2(Rho)) -0.7737435E-01 Diamond 0.2766953E+00 Metallicity 0.3109265E+01 Ellipticity 0.1901077E-01 Gb(Abramov) 0.9167912E-01 Vb(Abramov) -0.1059839E+00 Hb(Abramov) -0.1430477E-01 Ex_ueg -0.2423332E-01 Ec_ueg -0.3959852E-02 Delta_ex -0.2831397E-01 Delta_ec 0.8933078E-02 Delta_et -0.1048309E+00 Pxc 0.6119754E+01 Qxc -0.3169564E+01 3,-1 117 3 +1 2.893325 -2.022620 -0.011018 Rho 0.1192970E-01 |GRAD(Rho)| 0.6659019E-16 GRAD(Rho)x 0.2504884E-16 GRAD(Rho)y 0.3992230E-16 GRAD(Rho)z 0.4704273E-16 Laplacian 0.5461083E-01 (-1/4)Del**2(Rho)) -0.1365271E-01 Diamond 0.1825387E-02 Metallicity 0.7859299E+00 Ellipticity -0.1185336E+01 Gb(Abramov) 0.1089015E-01 Vb(Abramov) -0.8127593E-02 Hb(Abramov) 0.2762557E-02 Ex_ueg -0.2013220E-02 Ec_ueg -0.4563249E-03 Delta_ex -0.2579633E-02 Delta_ec 0.5292826E-03 Delta_et -0.4101459E-02 Pxc 0.4411813E+01 Qxc -0.4873830E+01 3,+1 118 3 -1 2.624382 -1.956873 1.505115 Rho 0.9022657E-01 |GRAD(Rho)| 0.1750826E-15 GRAD(Rho)x 0.9294323E-16 GRAD(Rho)y 0.1445987E-15 GRAD(Rho)z -0.3326722E-16 Laplacian 0.3633156E+00 (-1/4)Del**2(Rho)) -0.9082890E-01 Diamond 0.3953717E+00 Metallicity 0.3442600E+01 Ellipticity 0.2019220E-01 Gb(Abramov) 0.1126672E+00 Vb(Abramov) -0.1345055E+00 Hb(Abramov) -0.2183829E-01 Ex_ueg -0.2988806E-01 Ec_ueg -0.4736919E-02 Delta_ex -0.3450099E-01 Delta_ec 0.1022953E-01 Delta_et -0.1242911E+00 Pxc 0.6309599E+01 Qxc -0.3372684E+01 3,-1 119 3 +3 0.032607 1.919145 -2.712828 Rho 0.1186333E-01 |GRAD(Rho)| 0.3598140E-13 GRAD(Rho)x 0.4118900E-14 GRAD(Rho)y 0.2156703E-13 GRAD(Rho)z -0.2850542E-13 Laplacian 0.5303592E-01 (-1/4)Del**2(Rho)) -0.1325898E-01 Diamond 0.1196575E-02 Metallicity 0.8017783E+00 Ellipticity -0.6748804E+00 Gb(Abramov) 0.1061111E-01 Vb(Abramov) -0.7963248E-02 Hb(Abramov) 0.2647867E-02 Ex_ueg -0.1998300E-02 Ec_ueg -0.4532637E-03 Delta_ex -0.2336337E-02 Delta_ec 0.2192874E-03 Delta_et -0.2002377E-02 Pxc 0.4408692E+01 Qxc -0.1065423E+02 3,+3 120 3 +3 2.642814 -1.870802 -0.020115 Rho 0.1165080E-01 |GRAD(Rho)| 0.2149588E-16 GRAD(Rho)x 0.6160221E-17 GRAD(Rho)y 0.1579458E-16 GRAD(Rho)z -0.1321574E-16 Laplacian 0.5211546E-01 (-1/4)Del**2(Rho)) -0.1302886E-01 Diamond 0.1116235E-02 Metallicity 0.7917223E+00 Ellipticity -0.6412994E+00 Gb(Abramov) 0.1040512E-01 Vb(Abramov) -0.7781369E-02 Hb(Abramov) 0.2623748E-02 Ex_ueg -0.1950710E-02 Ec_ueg -0.4434728E-03 Delta_ex -0.2274580E-02 Delta_ec 0.1992716E-03 Delta_et -0.1855811E-02 Pxc 0.4398714E+01 Qxc -0.1141447E+02 3,+3 121 3 +1 -0.618388 1.120112 -2.530012 Rho 0.2713580E-01 |GRAD(Rho)| 0.3324779E-15 GRAD(Rho)x 0.5239507E-16 GRAD(Rho)y -0.2605895E-16 GRAD(Rho)z -0.3272877E-15 Laplacian 0.1045695E+00 (-1/4)Del**2(Rho)) -0.2614237E-01 Diamond 0.1448899E-01 Metallicity 0.1614777E+01 Ellipticity -0.3385794E+01 Gb(Abramov) 0.2446393E-01 Vb(Abramov) -0.2278549E-01 Hb(Abramov) 0.1678439E-02 Ex_ueg -0.6022479E-02 Ec_ueg -0.1196838E-02 Delta_ex -0.6567983E-02 Delta_ec 0.1631576E-02 Delta_et -0.1471642E-01 Pxc 0.5031990E+01 Qxc -0.4025546E+01 3,+1 122 3 +3 0.008627 1.959563 2.734984 Rho 0.1237529E-01 |GRAD(Rho)| 0.1276611E-16 GRAD(Rho)x -0.7321546E-17 GRAD(Rho)y 0.1041929E-16 GRAD(Rho)z -0.8983135E-18 Laplacian 0.5661060E-01 (-1/4)Del**2(Rho)) -0.1415265E-01 Diamond 0.1416836E-02 Metallicity 0.8059496E+00 Ellipticity -0.8149992E+00 Gb(Abramov) 0.1133615E-01 Vb(Abramov) -0.8519657E-02 Hb(Abramov) 0.2816496E-02 Ex_ueg -0.2114101E-02 Ec_ueg -0.4769214E-03 Delta_ex -0.2542056E-02 Delta_ec 0.2646566E-03 Delta_et -0.2354728E-02 Pxc 0.4432807E+01 Qxc -0.9605109E+01 3,+3 123 3 +1 2.344142 -1.161203 0.608213 Rho 0.2393484E-01 |GRAD(Rho)| 0.6356376E-10 GRAD(Rho)x -0.4694416E-10 GRAD(Rho)y -0.3711722E-10 GRAD(Rho)z 0.2142217E-10 Laplacian 0.9032372E-01 (-1/4)Del**2(Rho)) -0.2258093E-01 Diamond 0.1144851E-01 Metallicity 0.1516570E+01 Ellipticity -0.4921676E+01 Gb(Abramov) 0.2076154E-01 Vb(Abramov) -0.1894216E-01 Hb(Abramov) 0.1819385E-02 Ex_ueg -0.5094394E-02 Ec_ueg -0.1035236E-02 Delta_ex -0.5589886E-02 Delta_ec 0.1598962E-02 Delta_et -0.1394696E-01 Pxc 0.4920997E+01 Qxc -0.3495947E+01 3,+1 124 3 -1 2.350037 -0.597266 -0.003548 Rho 0.3206452E-01 |GRAD(Rho)| 0.5837024E-15 GRAD(Rho)x 0.5489259E-15 GRAD(Rho)y 0.1948465E-15 GRAD(Rho)z 0.3773141E-16 Laplacian 0.1151480E+00 (-1/4)Del**2(Rho)) -0.2878700E-01 Diamond 0.2970028E-01 Metallicity 0.1936710E+01 Ellipticity 0.3286687E-01 Gb(Abramov) 0.2848335E-01 Vb(Abramov) -0.2817969E-01 Hb(Abramov) 0.3036565E-03 Ex_ueg -0.7523466E-02 Ec_ueg -0.1450581E-02 Delta_ex -0.8318675E-02 Delta_ec 0.3133912E-02 Delta_et -0.2932529E-01 Pxc 0.5186520E+01 Qxc -0.2654406E+01 3,-1 125 3 -1 -2.402377 0.245913 0.889674 Rho 0.3812642E-01 |GRAD(Rho)| 0.3937203E-16 GRAD(Rho)x -0.2818095E-16 GRAD(Rho)y 0.1116010E-16 GRAD(Rho)z 0.2512853E-16 Laplacian 0.1125896E+00 (-1/4)Del**2(Rho)) -0.2814739E-01 Diamond 0.5881332E-01 Metallicity 0.2643372E+01 Ellipticity 0.3219448E-01 Gb(Abramov) 0.3116560E-01 Vb(Abramov) -0.3418381E-01 Hb(Abramov) -0.3018209E-02 Ex_ueg -0.9477338E-02 Ec_ueg -0.1769911E-02 Delta_ex -0.9858061E-02 Delta_ec 0.5496748E-02 Delta_et -0.5410227E-01 Pxc 0.5354699E+01 Qxc -0.1793435E+01 3,-1 126 3 -1 -2.290526 0.328945 -0.718215 Rho 0.6699035E-02 |GRAD(Rho)| 0.1307791E-16 GRAD(Rho)x 0.1180425E-16 GRAD(Rho)y -0.5421011E-17 GRAD(Rho)z 0.1517883E-17 Laplacian 0.2554776E-01 (-1/4)Del**2(Rho)) -0.6386939E-02 Diamond 0.1057831E-02 Metallicity 0.6421169E+00 Ellipticity 0.2987210E+00 Gb(Abramov) 0.4941486E-02 Vb(Abramov) -0.3496034E-02 Hb(Abramov) 0.1445453E-02 Ex_ueg -0.9326844E-03 Ec_ueg -0.2207463E-03 Delta_ex -0.1455454E-02 Delta_ec 0.1000550E-02 Delta_et -0.5855406E-02 Pxc 0.4225141E+01 Qxc -0.1454654E+01 3,-1 127 3 -1 2.196157 -3.187345 -2.303979 Rho 0.2083608E+00 |GRAD(Rho)| 0.2440121E-15 GRAD(Rho)x -0.3350185E-16 GRAD(Rho)y -0.1452289E-15 GRAD(Rho)z 0.1932048E-15 Laplacian 0.7764826E+00 (-1/4)Del**2(Rho)) -0.1941206E+00 Diamond 0.2319831E+01 Metallicity 0.6498922E+01 Ellipticity 0.1666827E-01 Gb(Abramov) 0.3396762E+00 Vb(Abramov) -0.4852318E+00 Hb(Abramov) -0.1455556E+00 Ex_ueg -0.9123041E-01 Ec_ueg -0.1227947E-01 Delta_ex -0.9046132E-01 Delta_ec 0.1789956E-01 Delta_et -0.2462470E+00 Pxc 0.7429508E+01 Qxc -0.5053829E+01 3,-1 128 3 -1 1.998382 -3.020441 -0.800559 Rho 0.1291484E+00 |GRAD(Rho)| 0.4409123E-16 GRAD(Rho)x 0.1935979E-16 GRAD(Rho)y 0.3926845E-16 GRAD(Rho)z -0.5217723E-17 Laplacian 0.4913097E+00 (-1/4)Del**2(Rho)) -0.1228274E+00 Diamond 0.8341645E+00 Metallicity 0.4628139E+01 Ellipticity 0.5054796E-01 Gb(Abramov) 0.1766287E+00 Vb(Abramov) -0.2304299E+00 Hb(Abramov) -0.5380125E-01 Ex_ueg -0.4821371E-01 Ec_ueg -0.7122396E-02 Delta_ex -0.5090373E-01 Delta_ec 0.1297950E-01 Delta_et -0.1690049E+00 Pxc 0.6769310E+01 Qxc -0.3921855E+01 3,-1 129 3 -1 1.989808 -3.001209 0.791730 Rho 0.1326427E+00 |GRAD(Rho)| 0.2049649E-15 GRAD(Rho)x -0.1304905E-15 GRAD(Rho)y 0.9866240E-17 GRAD(Rho)z 0.1577514E-15 Laplacian 0.5105215E+00 (-1/4)Del**2(Rho)) -0.1276304E+00 Diamond 0.9047818E+00 Metallicity 0.4656626E+01 Ellipticity 0.4163727E-01 Gb(Abramov) 0.1841414E+00 Vb(Abramov) -0.2406524E+00 Hb(Abramov) -0.5651103E-01 Ex_ueg -0.4996081E-01 Ec_ueg -0.7341836E-02 Delta_ex -0.5335015E-01 Delta_ec 0.1360549E-01 Delta_et -0.1783149E+00 Pxc 0.6804948E+01 Qxc -0.3921223E+01 3,-1 130 3 -1 2.178291 -3.146214 2.297243 Rho 0.2186432E+00 |GRAD(Rho)| 0.4002627E-15 GRAD(Rho)x -0.3070461E-15 GRAD(Rho)y -0.1278274E-15 GRAD(Rho)z -0.2226951E-15 Laplacian 0.8229433E+00 (-1/4)Del**2(Rho)) -0.2057358E+00 Diamond 0.2602629E+01 Metallicity 0.6644615E+01 Ellipticity 0.1915404E-01 Gb(Abramov) 0.3649964E+00 Vb(Abramov) -0.5242571E+00 Hb(Abramov) -0.1592606E+00 Ex_ueg -0.9728211E-01 Ec_ueg -0.1297529E-01 Delta_ex -0.9705500E-01 Delta_ec 0.1868703E-01 Delta_et -0.2577710E+00 Pxc 0.7497493E+01 Qxc -0.5193709E+01 3,-1 131 3 -1 -2.335469 3.154447 2.174007 Rho 0.2200239E+00 |GRAD(Rho)| 0.1688245E-12 GRAD(Rho)x 0.9889154E-13 GRAD(Rho)y -0.1239046E-12 GRAD(Rho)z -0.5805038E-13 Laplacian 0.8336650E+00 (-1/4)Del**2(Rho)) -0.2084163E+00 Diamond 0.2648304E+01 Metallicity 0.6628338E+01 Ellipticity 0.1206594E-01 Gb(Abramov) 0.3691864E+00 Vb(Abramov) -0.5299565E+00 Hb(Abramov) -0.1607701E+00 Ex_ueg -0.9810207E-01 Ec_ueg -0.1306916E-01 Delta_ex -0.9843013E-01 Delta_ec 0.1880834E-01 Delta_et -0.2591899E+00 Pxc 0.7506377E+01 Qxc -0.5233323E+01 3,-1 132 3 -1 -1.698789 2.718505 0.846187 Rho 0.1372141E+00 |GRAD(Rho)| 0.7017673E-12 GRAD(Rho)x 0.5357993E-13 GRAD(Rho)y 0.1792810E-12 GRAD(Rho)z -0.6763615E-12 Laplacian 0.5680904E+00 (-1/4)Del**2(Rho)) -0.1420226E+00 Diamond 0.1039840E+01 Metallicity 0.4427857E+01 Ellipticity 0.1006824E-01 Gb(Abramov) 0.1994910E+00 Vb(Abramov) -0.2569595E+00 Hb(Abramov) -0.5746843E-01 Ex_ueg -0.5226970E-01 Ec_ueg -0.7630126E-02 Delta_ex -0.5975484E-01 Delta_ec 0.1484127E-01 Delta_et -0.1952237E+00 Pxc 0.6850438E+01 Qxc -0.4026261E+01 3,-1 133 3 -1 0.820145 3.039206 -2.023697 Rho 0.1703009E+00 |GRAD(Rho)| 0.6650502E-15 GRAD(Rho)x 0.5928417E-15 GRAD(Rho)y -0.2911083E-15 GRAD(Rho)z 0.7801512E-16 Laplacian 0.6584693E+00 (-1/4)Del**2(Rho)) -0.1646173E+00 Diamond 0.1557150E+01 Metallicity 0.5475694E+01 Ellipticity 0.4176605E-01 Gb(Abramov) 0.2599772E+00 Vb(Abramov) -0.3553372E+00 Hb(Abramov) -0.9535991E-01 Ex_ueg -0.6971737E-01 Ec_ueg -0.9755490E-02 Delta_ex -0.7299902E-01 Delta_ec 0.1622369E-01 Delta_et -0.2196262E+00 Pxc 0.7146475E+01 Qxc -0.4499532E+01 3,-1 134 3 -1 0.785957 3.017516 1.989292 Rho 0.1529991E+00 |GRAD(Rho)| 0.3092545E-14 GRAD(Rho)x 0.3009149E-14 GRAD(Rho)y -0.4232454E-15 GRAD(Rho)z 0.5742138E-15 Laplacian 0.5929405E+00 (-1/4)Del**2(Rho)) -0.1482351E+00 Diamond 0.1232802E+01 Metallicity 0.5086474E+01 Ellipticity 0.4407563E-01 Gb(Abramov) 0.2244891E+00 Vb(Abramov) -0.3007431E+00 Hb(Abramov) -0.7625398E-01 Ex_ueg -0.6043709E-01 Ec_ueg -0.8635775E-02 Delta_ex -0.6400952E-01 Delta_ec 0.1501000E-01 Delta_et -0.2004514E+00 Pxc 0.6998456E+01 Qxc -0.4264457E+01 3,-1 135 3 -1 1.639171 2.773912 0.876521 Rho 0.1400310E+00 |GRAD(Rho)| 0.9438731E-13 GRAD(Rho)x -0.6851120E-13 GRAD(Rho)y 0.2820344E-13 GRAD(Rho)z 0.5847859E-13 Laplacian 0.5870320E+00 (-1/4)Del**2(Rho)) -0.1467580E+00 Diamond 0.1095796E+01 Metallicity 0.4432601E+01 Ellipticity 0.1332897E-01 Gb(Abramov) 0.2062586E+00 Vb(Abramov) -0.2657592E+00 Hb(Abramov) -0.5950060E-01 Ex_ueg -0.5370534E-01 Ec_ueg -0.7808444E-02 Delta_ex -0.6199516E-01 Delta_ec 0.1515812E-01 Delta_et -0.1998037E+00 Pxc 0.6877855E+01 Qxc -0.4089897E+01 3,-1 136 3 -1 2.288016 3.219065 2.194060 Rho 0.2217831E+00 |GRAD(Rho)| 0.1176775E-13 GRAD(Rho)x -0.1172711E-13 GRAD(Rho)y 0.7174708E-15 GRAD(Rho)z -0.6633420E-15 Laplacian 0.8228884E+00 (-1/4)Del**2(Rho)) -0.2057221E+00 Diamond 0.2649665E+01 Metallicity 0.6804864E+01 Ellipticity 0.1642453E-02 Gb(Abramov) 0.3704666E+00 Vb(Abramov) -0.5352110E+00 Hb(Abramov) -0.1647445E+00 Ex_ueg -0.9914927E-01 Ec_ueg -0.1318893E-01 Delta_ex -0.9741995E-01 Delta_ec 0.1863313E-01 Delta_et -0.2573269E+00 Pxc 0.7517616E+01 Qxc -0.5228319E+01 3,-1 137 3 -1 -1.449258 -0.822754 1.736835 Rho 0.6285248E-02 |GRAD(Rho)| 0.7681833E-17 GRAD(Rho)x 0.1165517E-17 GRAD(Rho)y 0.3632077E-17 GRAD(Rho)z -0.6667843E-17 Laplacian 0.2377041E-01 (-1/4)Del**2(Rho)) -0.5942604E-02 Diamond 0.8937775E-03 Metallicity 0.6205553E+00 Ellipticity 0.2666072E+00 Gb(Abramov) 0.4576355E-02 Vb(Abramov) -0.3210106E-02 Hb(Abramov) 0.1366249E-02 Ex_ueg -0.8566728E-03 Ec_ueg -0.2026348E-03 Delta_ex -0.1331720E-02 Delta_ec 0.9192058E-03 Delta_et -0.5279420E-02 Pxc 0.4227669E+01 Qxc -0.1448772E+01 3,-1 138 3 +1 -0.819877 -1.668833 1.666692 Rho 0.2986336E-02 |GRAD(Rho)| 0.1619513E-15 GRAD(Rho)x -0.2322226E-16 GRAD(Rho)y 0.1592727E-15 GRAD(Rho)z -0.1792068E-16 Laplacian 0.1077368E-01 (-1/4)Del**2(Rho)) -0.2693421E-02 Diamond 0.6770071E-04 Metallicity 0.3961078E+00 Ellipticity -0.1145587E+01 Gb(Abramov) 0.1973428E-02 Vb(Abramov) -0.1253435E-02 Hb(Abramov) 0.7199927E-03 Ex_ueg -0.3176167E-03 Ec_ueg -0.6131327E-04 Delta_ex -0.3796156E-03 Delta_ec 0.1477808E-03 Delta_et -0.7663974E-03 Pxc 0.5180227E+01 Qxc -0.2568775E+01 3,+1 139 3 -1 1.483526 -1.833289 -2.331914 Rho 0.1287386E+00 |GRAD(Rho)| 0.1442938E-15 GRAD(Rho)x -0.1925814E-16 GRAD(Rho)y 0.1424642E-15 GRAD(Rho)z -0.1240056E-16 Laplacian 0.5231153E+00 (-1/4)Del**2(Rho)) -0.1307788E+00 Diamond 0.8805644E+00 Metallicity 0.4323782E+01 Ellipticity 0.7148131E-02 Gb(Abramov) 0.1814291E+00 Vb(Abramov) -0.2320794E+00 Hb(Abramov) -0.5065026E-01 Ex_ueg -0.4800984E-01 Ec_ueg -0.7096714E-02 Delta_ex -0.5410615E-01 Delta_ec 0.1373828E-01 Delta_et -0.1786233E+00 Pxc 0.6765080E+01 Qxc -0.3938349E+01 3,-1 140 3 -1 1.431021 -1.805195 -0.842345 Rho 0.4707518E-01 |GRAD(Rho)| 0.9302091E-16 GRAD(Rho)x -0.3786925E-16 GRAD(Rho)y 0.7912897E-16 GRAD(Rho)z 0.3094211E-16 Laplacian 0.1812204E+00 (-1/4)Del**2(Rho)) -0.4530509E-01 Diamond 0.8562014E-01 Metallicity 0.2333778E+01 Ellipticity 0.1185100E-01 Gb(Abramov) 0.4782539E-01 Vb(Abramov) -0.5034570E-01 Hb(Abramov) -0.2520306E-02 Ex_ueg -0.1255378E-01 Ec_ueg -0.2253850E-02 Delta_ex -0.1473838E-01 Delta_ec 0.5483972E-02 Delta_et -0.5693939E-01 Pxc 0.5569926E+01 Qxc -0.2687538E+01 3,-1 141 3 -1 1.444931 -1.797008 2.335456 Rho 0.1391719E+00 |GRAD(Rho)| 0.3990217E-15 GRAD(Rho)x -0.5800482E-17 GRAD(Rho)y 0.3244339E-15 GRAD(Rho)z 0.2322226E-15 Laplacian 0.5778805E+00 (-1/4)Del**2(Rho)) -0.1444701E+00 Diamond 0.1078624E+01 Metallicity 0.4456844E+01 Ellipticity 0.7449394E-02 Gb(Abramov) 0.2036269E+00 Vb(Abramov) -0.2627837E+00 Hb(Abramov) -0.5915677E-01 Ex_ueg -0.5326643E-01 Ec_ueg -0.7754002E-02 Delta_ex -0.6102381E-01 Delta_ec 0.1509860E-01 Delta_et -0.1991527E+00 Pxc 0.6869541E+01 Qxc -0.4041687E+01 3,-1 142 3 -1 -1.503801 2.022403 2.755965 Rho 0.1328187E+00 |GRAD(Rho)| 0.8135990E-13 GRAD(Rho)x -0.4911436E-13 GRAD(Rho)y 0.6111682E-13 GRAD(Rho)z -0.2172438E-13 Laplacian 0.5153739E+00 (-1/4)Del**2(Rho)) -0.1288435E+00 Diamond 0.9087165E+00 Metallicity 0.4622989E+01 Ellipticity 0.4453312E-01 Gb(Abramov) 0.1851693E+00 Vb(Abramov) -0.2414952E+00 Hb(Abramov) -0.5632584E-01 Ex_ueg -0.5004923E-01 Ec_ueg -0.7352912E-02 Delta_ex -0.5380271E-01 Delta_ec 0.1360242E-01 Delta_et -0.1780715E+00 Pxc 0.6806723E+01 Qxc -0.3955377E+01 3,-1 143 3 -1 -2.262421 3.232099 -2.245412 Rho 0.2185449E+00 |GRAD(Rho)| 0.3983237E-15 GRAD(Rho)x -0.3078050E-15 GRAD(Rho)y 0.2287124E-15 GRAD(Rho)z -0.1077426E-15 Laplacian 0.8195064E+00 (-1/4)Del**2(Rho)) -0.2048766E+00 Diamond 0.2592164E+01 Metallicity 0.6667485E+01 Ellipticity 0.1909201E-01 Gb(Abramov) 0.3642530E+00 Vb(Abramov) -0.5236294E+00 Hb(Abramov) -0.1593764E+00 Ex_ueg -0.9722382E-01 Ec_ueg -0.1296861E-01 Delta_ex -0.9664933E-01 Delta_ec 0.1863081E-01 Delta_et -0.2570648E+00 Pxc 0.7496858E+01 Qxc -0.5187608E+01 3,-1 144 3 -1 -1.708419 2.725921 -0.900936 Rho 0.1383840E+00 |GRAD(Rho)| 0.1128423E-15 GRAD(Rho)x -0.5009861E-16 GRAD(Rho)y -0.1389134E-17 GRAD(Rho)z 0.1011019E-15 Laplacian 0.5713366E+00 (-1/4)Del**2(Rho)) -0.1428341E+00 Diamond 0.1058540E+01 Metallicity 0.4465438E+01 Ellipticity 0.6717472E-02 Gb(Abramov) 0.2015256E+00 Vb(Abramov) -0.2602170E+00 Hb(Abramov) -0.5869145E-01 Ex_ueg -0.5286473E-01 Ec_ueg -0.7704118E-02 Delta_ex -0.6024282E-01 Delta_ec 0.1493584E-01 Delta_et -0.1968081E+00 Pxc 0.6861880E+01 Qxc -0.4033441E+01 3,-1 145 3 -1 1.415482 -1.775620 0.834333 Rho 0.5617632E-01 |GRAD(Rho)| 0.3770750E-13 GRAD(Rho)x 0.2870469E-13 GRAD(Rho)y 0.2181407E-13 GRAD(Rho)z -0.1104731E-13 Laplacian 0.2118006E+00 (-1/4)Del**2(Rho)) -0.5295014E-01 Diamond 0.1242718E+00 Metallicity 0.2680864E+01 Ellipticity 0.1281805E-01 Gb(Abramov) 0.5895879E-01 Vb(Abramov) -0.6496743E-01 Hb(Abramov) -0.6008644E-02 Ex_ueg -0.1588996E-01 Ec_ueg -0.2759019E-02 Delta_ex -0.1789896E-01 Delta_ec 0.6205350E-02 Delta_et -0.6739619E-01 Pxc 0.5759279E+01 Qxc -0.2884440E+01 3,-1 146 3 -1 3.217674 0.557977 -0.677335 Rho 0.1402876E+00 |GRAD(Rho)| 0.1281084E-13 GRAD(Rho)x 0.6393012E-14 GRAD(Rho)y -0.9879738E-14 GRAD(Rho)z 0.5063387E-14 Laplacian 0.5880814E+00 (-1/4)Del**2(Rho)) -0.1470203E+00 Diamond 0.1100666E+01 Metallicity 0.4438208E+01 Ellipticity 0.1284839E-01 Gb(Abramov) 0.2067647E+00 Vb(Abramov) -0.2665091E+00 Hb(Abramov) -0.5974437E-01 Ex_ueg -0.5383656E-01 Ec_ueg -0.7824707E-02 Delta_ex -0.6213906E-01 Delta_ec 0.1518808E-01 Delta_et -0.2002738E+00 Pxc 0.6880329E+01 Qxc -0.4091305E+01 3,-1 147 3 -1 3.217510 0.559245 0.680482 Rho 0.1265124E+00 |GRAD(Rho)| 0.8934917E-14 GRAD(Rho)x 0.3996722E-14 GRAD(Rho)y -0.6171496E-14 GRAD(Rho)z -0.5076573E-14 Laplacian 0.5286387E+00 (-1/4)Del**2(Rho)) -0.1321597E+00 Diamond 0.8745491E+00 Metallicity 0.4156007E+01 Ellipticity 0.1118272E-01 Gb(Abramov) 0.1796492E+00 Vb(Abramov) -0.2271388E+00 Hb(Abramov) -0.4748954E-01 Ex_ueg -0.4690611E-01 Ec_ueg -0.6957394E-02 Delta_ex -0.5448776E-01 Delta_ec 0.1401131E-01 Delta_et -0.1817768E+00 Pxc 0.6741907E+01 Qxc -0.3888841E+01 3,-1 148 3 -1 0.596437 -0.558914 3.229052 Rho 0.1390864E+00 |GRAD(Rho)| 0.2647069E-15 GRAD(Rho)x 0.1996016E-15 GRAD(Rho)y -0.1623322E-15 GRAD(Rho)z -0.6226709E-16 Laplacian 0.5748739E+00 (-1/4)Del**2(Rho)) -0.1437185E+00 Diamond 0.1072488E+01 Metallicity 0.4475567E+01 Ellipticity 0.5457209E-02 Gb(Abramov) 0.2030159E+00 Vb(Abramov) -0.2623134E+00 Hb(Abramov) -0.5929746E-01 Ex_ueg -0.5322280E-01 Ec_ueg -0.7748587E-02 Delta_ex -0.6070022E-01 Delta_ec 0.1502755E-01 Delta_et -0.1982075E+00 Pxc 0.6868711E+01 Qxc -0.4039262E+01 3,-1 149 3 -1 0.627724 -0.582764 -3.220128 Rho 0.1325031E+00 |GRAD(Rho)| 0.4446387E-15 GRAD(Rho)x -0.3399380E-15 GRAD(Rho)y 0.2674456E-15 GRAD(Rho)z -0.1030466E-15 Laplacian 0.5400016E+00 (-1/4)Del**2(Rho)) -0.1350004E+00 Diamond 0.9399013E+00 Metallicity 0.4394688E+01 Ellipticity 0.9827116E-02 Gb(Abramov) 0.1888810E+00 Vb(Abramov) -0.2427617E+00 Hb(Abramov) -0.5388064E-01 Ex_ueg -0.4989071E-01 Ec_ueg -0.7333053E-02 Delta_ex -0.5622948E-01 Delta_ec 0.1406075E-01 Delta_et -0.1836214E+00 Pxc 0.6803539E+01 Qxc -0.3999037E+01 3,-1 150 3 -1 3.535104 -0.833239 -0.723557 Rho 0.1760998E+00 |GRAD(Rho)| 0.4026918E-13 GRAD(Rho)x -0.9566781E-14 GRAD(Rho)y 0.3859971E-13 GRAD(Rho)z -0.6336077E-14 Laplacian 0.6816131E+00 (-1/4)Del**2(Rho)) -0.1704033E+00 Diamond 0.1673359E+01 Metallicity 0.5593365E+01 Ellipticity 0.4229565E-01 Gb(Abramov) 0.2724568E+00 Vb(Abramov) -0.3745103E+00 Hb(Abramov) -0.1020535E+00 Ex_ueg -0.7290043E-01 Ec_ueg -0.1013472E-01 Delta_ex -0.7616330E-01 Delta_ec 0.1658171E-01 Delta_et -0.2251351E+00 Pxc 0.7193139E+01 Qxc -0.4593212E+01 3,-1 151 3 -1 3.508294 -0.825029 0.714689 Rho 0.1691628E+00 |GRAD(Rho)| 0.3345311E-13 GRAD(Rho)x 0.1300381E-13 GRAD(Rho)y -0.2178222E-13 GRAD(Rho)z -0.2180702E-13 Laplacian 0.6546906E+00 (-1/4)Del**2(Rho)) -0.1636726E+00 Diamond 0.1535042E+01 Metallicity 0.5446096E+01 Ellipticity 0.3686065E-01 Gb(Abramov) 0.2576779E+00 Vb(Abramov) -0.3516832E+00 Hb(Abramov) -0.9400528E-01 Ex_ueg -0.6909686E-01 Ec_ueg -0.9681293E-02 Delta_ex -0.7245228E-01 Delta_ec 0.1614704E-01 Delta_et -0.2183852E+00 Pxc 0.7137152E+01 Qxc -0.4487032E+01 3,-1 152 3 -1 -0.716667 -0.357861 0.053075 Rho 0.1392857E+00 |GRAD(Rho)| 0.4237734E-15 GRAD(Rho)x -0.2855187E-16 GRAD(Rho)y 0.2250696E-15 GRAD(Rho)z 0.3579279E-15 Laplacian 0.7057001E+00 (-1/4)Del**2(Rho)) -0.1764250E+00 Diamond 0.1582618E+01 Metallicity 0.3654579E+01 Ellipticity 0.8546084E-01 Gb(Abramov) 0.2250766E+00 Vb(Abramov) -0.2737281E+00 Hb(Abramov) -0.4865153E-01 Ex_ueg -0.5332456E-01 Ec_ueg -0.7761215E-02 Delta_ex -0.7744054E-01 Delta_ec 0.2361984E-01 Delta_et -0.3221959E+00 Pxc 0.6870645E+01 Qxc -0.3278623E+01 3,-1 153 3 -1 0.414382 -0.453967 0.004336 Rho 0.1384223E+00 |GRAD(Rho)| 0.1104813E-12 GRAD(Rho)x -0.6327696E-13 GRAD(Rho)y 0.8631977E-13 GRAD(Rho)z 0.2740520E-13 Laplacian 0.7208622E+00 (-1/4)Del**2(Rho)) -0.1802155E+00 Diamond 0.1594800E+01 Metallicity 0.3540822E+01 Ellipticity 0.1081360E-01 Gb(Abramov) 0.2264956E+00 Vb(Abramov) -0.2727756E+00 Hb(Abramov) -0.4628003E-01 Ex_ueg -0.5288424E-01 Ec_ueg -0.7706543E-02 Delta_ex -0.7888343E-01 Delta_ec 0.2396624E-01 Delta_et -0.3262060E+00 Pxc 0.6862253E+01 Qxc -0.3291440E+01 3,-1 154 3 -1 0.857032 -2.970037 -1.705806 Rho 0.2120107E+00 |GRAD(Rho)| 0.4468182E-16 GRAD(Rho)x -0.5963112E-17 GRAD(Rho)y 0.2087089E-17 GRAD(Rho)z -0.4423291E-16 Laplacian 0.8202025E+00 (-1/4)Del**2(Rho)) -0.2050506E+00 Diamond 0.2473866E+01 Metallicity 0.6333177E+01 Ellipticity 0.1292523E-01 Gb(Abramov) 0.3531374E+00 Vb(Abramov) -0.5012242E+00 Hb(Abramov) -0.1480868E+00 Ex_ueg -0.9336743E-01 Ec_ueg -0.1252579E-01 Delta_ex -0.9580463E-01 Delta_ec 0.1849870E-01 Delta_et -0.2536005E+00 Pxc 0.7454014E+01 Qxc -0.5178994E+01 3,-1 155 3 -1 0.833844 -2.954811 1.680772 Rho 0.2229742E+00 |GRAD(Rho)| 0.4768012E-15 GRAD(Rho)x -0.2960956E-15 GRAD(Rho)y -0.3706345E-15 GRAD(Rho)z 0.4792512E-16 Laplacian 0.8737282E+00 (-1/4)Del**2(Rho)) -0.2184320E+00 Diamond 0.2796464E+01 Metallicity 0.6466377E+01 Ellipticity 0.1010499E-01 Gb(Abramov) 0.3810320E+00 Vb(Abramov) -0.5436320E+00 Hb(Abramov) -0.1626000E+00 Ex_ueg -0.9985989E-01 Ec_ueg -0.1327011E-01 Delta_ex -0.1033762E+00 Delta_ec 0.1938620E-01 Delta_et -0.2663298E+00 Pxc 0.7525174E+01 Qxc -0.5332465E+01 3,-1 156 3 -1 2.321942 3.217825 -2.210716 Rho 0.2215900E+00 |GRAD(Rho)| 0.1707422E-13 GRAD(Rho)x 0.1341386E-13 GRAD(Rho)y -0.9560874E-14 GRAD(Rho)z -0.4493015E-14 Laplacian 0.8157459E+00 (-1/4)Del**2(Rho)) -0.2039365E+00 Diamond 0.2629051E+01 Metallicity 0.6854492E+01 Ellipticity 0.8589558E-03 Gb(Abramov) 0.3689378E+00 Vb(Abramov) -0.5339391E+00 Hb(Abramov) -0.1650013E+00 Ex_ueg -0.9903423E-01 Ec_ueg -0.1317578E-01 Delta_ex -0.9658300E-01 Delta_ec 0.1853027E-01 Delta_et -0.2561099E+00 Pxc 0.7516387E+01 Qxc -0.5212176E+01 3,-1 157 3 -1 -2.029925 -0.359934 0.486277 Rho 0.3156034E+00 |GRAD(Rho)| 0.1649003E-14 GRAD(Rho)x 0.1220300E-14 GRAD(Rho)y -0.7365587E-16 GRAD(Rho)z -0.1106641E-14 Laplacian -0.1586508E+01 (-1/4)Del**2(Rho)) 0.3966269E+00 Diamond 0.5431701E+01 Metallicity -0.6354388E+01 Ellipticity 0.6466661E-02 Gb(Abramov) 0.1556356E+00 Vb(Abramov) -0.7078982E+00 Hb(Abramov) -0.5522626E+00 Ex_ueg -0.1586989E+00 Ec_ueg -0.1982222E-01 Delta_ex 0.1572122E+00 Delta_ec 0.5521052E-01 Delta_et -0.1303652E+01 Pxc 0.8006111E+01 Qxc 0.2847505E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 145 141 155 118 129 130 127 78 49 144 96 54 143 84 113 135 88 134 136 140 139 154 116 128 156 81 111 114 85 133 131 87 51 132 142 48 99 101 148 109 73 104 124 146 147 150 151 95 106 149 102 66 76 105 153 137 126 152 157 107 108 103 90 52 125 80 92 56 1 1 1 1 1 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 14 14 14 15 16 17 18 19 19 21 22 25 13 24 26 33 39 41 5 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 8 15 20 27 31 40 9 16 19 25 32 38 16 17 24 32 35 37 13 20 22 29 33 42 15 18 21 30 31 34 36 17 23 36 45 36 36 26 20 23 45 28 24 27 2.332128 1.942135 1.770326 2.129579 1.975051 1.778708 1.770855 2.352616 1.773013 1.945404 1.961288 2.136813 1.778980 2.429029 1.929005 1.942052 1.888928 1.919390 1.773133 2.386011 1.951843 1.763683 2.173464 1.962891 1.773634 2.494033 1.959820 1.964603 1.870055 1.876807 1.775838 2.331479 1.797323 1.948788 1.973798 2.064193 2.401160 1.773337 1.942736 1.961757 2.122639 1.776520 2.580058 1.940461 1.982154 1.863482 1.879191 1.771708 2.409078 1.939900 1.763063 1.771266 2.161533 1.980157 1.655384 3.213243 3.180975 1.658974 1.000596 1.666262 1.673954 3.191041 3.258749 3.098732 1.775286 3.096896 3.267797 3.237072 2.332874 1.942475 1.770371 2.130030 1.975496 1.778723 1.770890 2.353398 1.773052 1.945760 1.961752 2.137259 1.778996 2.429587 1.929478 1.942467 1.889318 1.919768 1.773136 2.386827 1.952419 1.763788 2.174071 1.963544 1.773638 2.494575 1.960232 1.965043 1.870387 1.877158 1.775850 2.332131 1.797458 1.949120 1.974219 2.064605 2.401860 1.773391 1.943074 1.962213 2.123034 1.776537 2.580508 1.940943 1.982580 1.863797 1.879574 1.771717 2.409813 1.940463 1.763184 1.771302 2.162148 1.980822 1.655404 3.228902 3.193894 1.659137 1.000700 1.666269 1.673965 3.209126 3.259875 3.104016 1.779853 3.102421 3.269248 3.238815 27 23 22 28 23 23 22 29 22 23 24 29 22 27 25 23 28 23 21 30 26 22 25 23 21 32 23 25 24 23 23 31 24 23 23 25 27 25 23 23 25 23 29 25 26 22 23 24 27 23 24 24 25 23 21 35 35 21 17 21 21 35 35 33 24 33 35 35 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 W O W W Mo W W O O W W Mo O O O O O O O O O O O O O O O O O O O O O O O Si O O O O O O O O H 2.3223 -0.8299 2.3033 2.3910 2.1701 2.3571 2.3110 -0.9039 -0.8991 2.3133 2.3391 2.1533 -1.1469 -0.8474 -1.1414 -1.1595 -0.8503 -0.9425 -0.8900 -0.9815 -0.7742 -0.9797 -0.8521 -0.9933 -0.9885 -0.8499 -0.9787 -0.7774 -0.9709 -0.8318 -0.9748 -1.0133 -0.9987 -0.9842 -1.0041 2.1379 -0.9025 -1.0117 -0.9832 -0.9978 -0.9029 -0.9010 -0.9041 -0.9014 0.2703 2.1414 1.9559 2.1470 2.1098 1.9911 2.1165 2.1401 1.9461 1.9470 2.1388 2.1195 2.0044 1.9001 1.8600 1.8996 1.8982 1.9514 1.9357 1.9492 1.9267 1.9645 1.9267 1.9511 1.9273 1.9268 1.9519 1.9266 1.9643 1.9370 1.9559 1.9367 1.9332 1.9357 1.9356 1.9348 2.3432 1.9467 1.9338 1.9364 1.9361 1.9464 1.9475 1.9464 1.9462 0.5785 6.1175 4.8472 6.1234 6.0989 6.1257 6.1095 6.1265 4.9279 4.9227 6.1209 6.1167 6.1274 5.2200 4.9549 5.2149 5.2324 4.8683 4.9818 4.9102 5.0264 4.7813 5.0248 4.8704 5.0374 5.0332 4.8674 5.0239 4.7848 5.0065 4.8491 5.0110 5.0495 5.0347 5.0204 5.0415 6.9435 4.9264 5.0501 5.0185 5.0333 4.9274 4.9233 4.9285 4.9254 0.1512 3.3893 0.0268 3.3969 3.3700 3.7131 3.3867 3.3926 0.0299 0.0295 3.3978 3.3948 3.7149 0.0268 0.0324 0.0269 0.0289 0.0306 0.0250 0.0306 0.0284 0.0285 0.0282 0.0306 0.0287 0.0285 0.0306 0.0282 0.0283 0.0274 0.0267 0.0270 0.0306 0.0283 0.0282 0.0278 0.5754 0.0295 0.0278 0.0283 0.0284 0.0292 0.0302 0.0292 0.0299 0.0000 14.0295 0.0000 14.0294 14.0303 0.0000 14.0302 14.0297 0.0000 0.0000 14.0293 14.0299 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 W O W W Mo W W O O W W Mo O O O O O O O O O O O O O O O O O O O O O O O Si O O O O O O O O H 2.480894 -1.117550 2.475429 2.495089 3.147816 2.488694 2.478528 -0.968599 -0.963923 2.472527 2.482853 3.144757 -1.092690 -0.639922 -1.094974 -1.053809 -0.918999 -1.235312 -0.878484 -1.011301 -1.063425 -1.011241 -0.918911 -1.004720 -1.007104 -0.917895 -1.011123 -1.063391 -1.087232 -1.119642 -1.093154 -1.020019 -1.023873 -1.126015 -1.028584 1.789554 -0.967361 -1.029810 -1.127443 -1.023769 -0.967182 -0.964165 -0.968980 -0.965915 0.030375 1.946328 -0.941809 1.937733 1.911576 2.350435 1.913994 1.917227 -0.899972 -0.895588 1.932128 1.912725 2.348813 -0.753692 -0.765226 -0.754243 -0.685009 -0.832572 -0.927494 -0.798450 -0.743480 -0.870532 -0.755342 -0.832437 -0.720977 -0.731253 -0.828505 -0.746953 -0.870696 -0.938580 -0.943662 -0.944218 -0.846101 -0.875114 -0.922497 -0.883159 1.422908 -0.898977 -0.880898 -0.922117 -0.877881 -0.899065 -0.893946 -0.899163 -0.901810 0.287552 2.036736 -0.927397 2.028645 2.032010 2.447367 2.025307 2.015270 -0.866944 -0.867239 2.017240 2.014816 2.442928 -0.832148 -0.741051 -0.831906 -0.772224 -0.839652 -1.012998 -0.854936 -0.838191 -0.871047 -0.844575 -0.843243 -0.814367 -0.823982 -0.828757 -0.846101 -0.872130 -0.952718 -0.928613 -0.958425 -0.895798 -0.898938 -0.988233 -0.907916 1.371134 -0.873012 -0.908298 -0.989712 -0.899794 -0.872605 -0.861037 -0.869815 -0.867744 0.370093 -24.09585534 -18.81685540 -1.41782173 30.60546536 49.27984226 63.50471665 -1.62245944 -0.93702161 7.89526162 -48.34282065 -303.5456 351.3154 10.7055 -360.4832 -101.3705 -403.3784 Apr27-2024 05:36:24 Nodes: 1 Procs: 1 Apr27-2024 05:36:24 Nodes: 1 Procs: 1 0 Apr27-2024 05:36:24 Nodes: 1 Procs: 1 Apr27-2024 05:36:25 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr27-2024 05:36:25 Nodes: 1 Procs: 1 Apr27-2024 05:36:26 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr27-2024 05:36:27 Nodes: 1 Procs: 1 Apr27-2024 05:36:27 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr27-2024 05:36:27 Nodes: 1 Procs: 1 Apr27-2024 05:36:28 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr27-2024 05:36:30 Nodes: 1 Procs: 28 *** (NO TITLE) *** -9 -14.67403418 -14.76080469 -14.77563356 -14.78080202 -14.77778276 -14.77915623 -14.78362794 -14.78609800 -14.78672625 -14.78731772 -14.78779028 -14.78798763 -14.78819419 -14.78837791 -14.78859746 -14.78971479 -14.79286904 -14.78819172 -14.79615442 -14.79807423 -14.79729180 -14.80086899 -14.80301066 -14.80530201 -14.80772668 -14.80910677 -14.81135404 -14.81361428 -14.81144553 -14.81565174 -14.81208226 -14.81763087 -14.81999167 -14.82055953 -14.82186302 -14.82300139 -14.82346879 -14.82360269 -14.82379825 -14.82386806 -14.82387713 -14.82387325 -14.82387485 -14.82388370 GEOMETRY CONVERGED